SCHEMBL1606573

SCHEMBL1606573

O=[C]CNC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
HTT P42858 1/20 0.58
CTSL P07711 4/20 0.55
CTSS P25774 4/20 0.55
CTSB P07858 2/20 0.55
CTSK P43235 2/20 0.55
ALDH1A1 P00352 2/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KEAP1 Q14145 2/20 0.54
NFE2L2 Q16236 2/20 0.54
MAPT P10636 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TGM2 P21980 1/20 0.51
PLAU P00749 1/20 0.50

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
SCHEMBL9208918 0.89 MAPK1 (0.57) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL3211861 0.85 LMNA (0.59) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL854096 0.85 CTSS (0.68) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL10555892 0.84 HTT (0.68) LMNASMN1; SMN2HTTL3MBTL1KEAP1
SCHEMBL6539554 0.83 LMNA (0.67) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL7511505 0.83 MGLL (0.50) LMNASMN1; SMN2CTSKALDH1A1NPC1
SCHEMBL137308 0.82 LMNA (0.65) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL7566873 0.82 SMN1; SMN2 (0.56) LMNASMN1; SMN2HTTCTSLCTSS
SCHEMBL13055383 0.82 LMNA (0.80) LMNASMN1; SMN2HTTALDH1A1NPC1
SCHEMBL25014013 0.81 SMN1; SMN2 (0.55) LMNASMN1; SMN2HTTCTSLCTSS

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 128 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512397-B1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INST MED MOLECULAR DESIGN INC (JP) 2014-10-08 EP claimed
WO-2013188344-A2 LAUNDRY SOAP BARS NOVOZYMES A/S (DK) 2013-12-19 WO claimed
US-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 US claimed
CN-1079792-C DP-IV-serine protease inhibitors FERRING BV (NL) 2002-02-27 CN claimed
EP-0750614-B1 QUINAZOLINYL-AMINO DERIVATIVES HAVING ALPHA-ANTAGONIST ACTIVITY RECORDATI CHEM PHARM (CH) 2001-05-23 EP claimed
US-6147083-A NOVEL SUBSTITUTED 1,2-ETHANEDIAMINE DERIVATIVES WHICH ANTAGONIZE THE PHARMACOLOGICAL ACTIONS OF THE ENDOGENOUS NEUROPEPTIDE TACHYKININS KNOWN AS NEUROKININS, USEFUL FOR THE TREATMENT OF ASTHMA, ETC. ZENECA LIMITED (GB) 2000-11-14 US claimed
US-5998065-A N-OXYIMIDE ADDITIVE FUJITSU LIMITED (JP) 1999-12-07 US claimed
US-5998444-A ANTIASTHMA AGENTS; NEUROKININ ANTAGONIST ZENECA LTD. (GB) 1999-12-07 US claimed
US-5798362-A USEFUL AS ALPHA-ADRENORECEPTOR BLOCKERS; CONDENSATION RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 1998-08-25 US claimed
EP-0840614-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1998-05-13 EP claimed
US-5710169-A NEUROKININ ANTAGONISTS; ANTIHISTAMINES, BRONCHODILATOR AGENTS; ASTHMA ZENECA LIMITED (GB) 1998-01-20 US claimed
CN-1141033-A Enzyme inhibitors FERRING BV (NL) 1997-01-22 CN claimed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO claimed
EP-0709375-A2 Therapeutic heterocycles ZENECA LIMITED (GB) 1996-05-01 EP claimed
US-5225528-A Controlling premature labor MERCK & CO., INC. (US) 1993-07-06 US claimed
EP-0444898-A1 Cyclic hexapeptide oxytocin antagonists MERCK & CO. INC. (US) 1991-09-04 EP claimed
US-4468512-A 1-N-Acylated and 1-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides ELI LILLY AND COMPANY (US) 1984-08-28 US claimed
US-4468513-A 2'-N-Acylated and 2'-N-alkylated derivatives of 4-O-substituted-2-deoxystreptamine aminoglycosides ELI LILLY AND COMPANY (US) 1984-08-28 US claimed
US-4350628-A OXIDATIVE DEHYDROGENATION WITH A BENZOQUINONE RESEARCH CORPORATION (US) 1982-09-21 US claimed
US-4331804-A ANTIBIOTICS ABBOTT LABORATORIES (US) 1982-05-25 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 LMNA 349/4885SMN1; SMN2 4877/4885HTT 3899/4885

“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.