SCHEMBL10531968

SCHEMBL10531968

CCOC(=O)C(NC(=O)CNC(=O)OCc1ccccc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
CYP3A4 P08684 2/20 0.53
ALDH1A1 P00352 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CTSL P07711 1/20 0.51
CTSB P07858 1/20 0.51
CTSS P25774 1/20 0.51
CTSK P43235 1/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TSHR P16473 1/20 0.48
OPRK1 P41145 1/20 0.48
PRSS1 P07477 1/20 0.48
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
FUCA1 P04066 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14501542 0.89 MAPK1 (0.55) MAPK1CYP3A4ALDH1A1CTSLCTSB
SCHEMBL22075899 0.87 HTT (0.54) MAPK1HSD17B10LMNASMN1; SMN2L3MBTL1
SCHEMBL11028843 0.86 TACR1 (0.55) MAPK1CYP3A4ALDH1A1HSD17B10CTSL
SCHEMBL561049 0.86 CTRB1 (0.55) ALDH1A1HSD17B10CTSLCTSBCTSS
SCHEMBL7275193 0.85 HSD17B10 (0.53) MAPK1CYP3A4ALDH1A1HSD17B10CTSL
SCHEMBL8932406 0.84 PPID (0.58) MAPK1ALDH1A1HSD17B10CTSLCTSB
SCHEMBL11511869 0.84 PPID (0.58) MAPK1ALDH1A1HSD17B10CTSLCTSB
SCHEMBL3829691 0.84 HSD17B10 (0.49) MAPK1ALDH1A1HSD17B10CTSLCTSB
SCHEMBL1687312 0.83 ALDH1A1 (0.60) MAPK1CYP3A4ALDH1A1CTSLCTSB
SCHEMBL8264787 0.83 ALDH1A1 (0.59) MAPK1ALDH1A1CTSLCTSBCTSS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4299126-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM The Johns Hopkins University (US) 2024-01-03 EP disclosed
EP-3160969-B1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM UNIV JOHNS HOPKINS (US) 2023-09-13 EP disclosed
US-11136322-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2021-10-05 US disclosed
US-20210163490-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2021-06-03 US disclosed
US-10844070-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2020-11-24 US disclosed
US-20200181155-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2020-06-11 US disclosed
US-20200062759-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2020-02-27 US disclosed
US-10266534-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system THE JOHNS HOPKINS UNIVERSITY (US) 2019-04-23 US disclosed
US-20170197967-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY 2017-07-13 US disclosed
EP-3160969-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM The Johns Hopkins University (US) 2017-05-03 EP disclosed
WO-2015200766-A2 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-30 WO disclosed
US-4886894-A ANTITUMOR AGENTS Tanabe Seivaku Co., Ltd. (JP) 1989-12-12 US disclosed
CN-88101195-A novel organic platinum complex and preparation method thereof 1988-09-28 CN disclosed
EP-0281412-A2 Novel organic platinum complex pharmaceutical compositions containing same and a process for the preparation thereof Tanabe Seiyaku Co., Ltd. (JP) 1988-09-07 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10844070-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 MAPK1 3202/4885CYP3A4 944/4885ALDH1A1 2601/4885
US-11136322-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 MAPK1 3202/4885CYP3A4 944/4885ALDH1A1 2601/4885
US-20200181155-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 MAPK1 3202/4885CYP3A4 944/4885ALDH1A1 2601/4885
US-20200062759-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 MAPK1 3202/4885CYP3A4 944/4885ALDH1A1 2601/4885
US-10266534-B2 Peripherally restricted GABA positive allosteric modulators for the treatment of irritable bowel syndrome and other ailments of the peripheral nervous system SLC6A13, SI, SLC6A11 MAPK1 3202/4885CYP3A4 944/4885ALDH1A1 2601/4885
US-20210163490-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 MAPK1 3202/4885CYP3A4 944/4885ALDH1A1 2601/4885
US-20170197967-A1 PERIPHERALLY RESTRICTED GABA POSITIVE ALLOSTERIC MODULATORS FOR THE TREATMENT OF IRRITABLE BOWEL SYNDROME AND OTHER AILMENTS OF THE PERIPHERAL NERVOUS SYSTEM SLC6A13, SI, SLC6A11 MAPK1 3202/4885CYP3A4 944/4885ALDH1A1 2601/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.