SCHEMBL3485253

SCHEMBL3485253

O=C1CCCC(NC(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.46
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.36
EPHX1 P07099 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 3/20 0.35
EPHX2 P34913 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.33
CASP6 P55212 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33

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
SCHEMBL23881931 1.00 THRB (0.46) THRBCYP3A4CYP2C19CYP2C9KDM4E
SCHEMBL3221585 0.94 THRB (0.41) THRBCYP3A4KDM4EGAAMAPT
SCHEMBL5006986 0.88 MTNR1A (0.37) THRBCYP3A4CYP2C19CYP2C9
SCHEMBL5089466 0.88 MTNR1A (0.37) THRBCYP3A4CYP2C19CYP2C9
SCHEMBL5091076 0.88 MTNR1A (0.37) THRBCYP3A4CYP2C19CYP2C9
SCHEMBL3214409 0.84 KDM4E (0.41) THRBCYP3A4CYP2C19KDM4EGAA
SCHEMBL11275440 0.82 MTNR1A (0.49) THRBKDM4EGAAMAPTEPHX1
SCHEMBL2634531 0.78
SCHEMBL28268650 0.78 MTNR1A (0.53) THRBCYP2C9GAAMAPTSMN1; SMN2
SCHEMBL28932499 0.78 MTNR1A (0.53) CYP2C19SMN1; SMN2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067643-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS, INC. 2024-02-29 US disclosed
EP-4277893-A1 INDOLE DERIVATIVES AS KINASE INHIBITORS GB005, Inc. (US) 2023-11-22 EP disclosed
US-11739086-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same ACLARIS THERAPEUTICS, INC. (US) 2023-08-29 US disclosed
US-20230174481-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors VALO HEALTH, INC. (US) 2022-12-13 US disclosed
WO-2022155111-A1 INDOLE DERIVATIVES AS KINASE INHIBITORS GB005, INC. (US) 2022-07-21 WO disclosed
EP-3997080-A1 BCAT MODULATION Icagen, LLC (US) 2022-05-18 EP disclosed
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NOVARTIS AG (CH) 2021-10-07 US disclosed
US-20210284637-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME ACLARIS THERAPEUTICS, INC. 2021-09-16 US disclosed
EP-2922859-B1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS UNIV CORK (IE) 2021-05-05 EP disclosed
US-20130303524-A1 Carbazole-Containing Sulfonamides as Cryptochrome Modulators Synchronicity Pharma, Inc. 2013-11-14 US disclosed
WO-2013170186-A1 CARBAZOLE-CONTAINING SULFONAMIDES AS CRYPTOCHROME MODULATORS RESET THERAPEUTICS, INC. (US) 2013-11-14 WO disclosed
EP-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
US-20130137733-A1 Di-Substituted Amides for Enhancing Glutamatergic Synaptic Responses CORTEX PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8404682-B2 Di-substituted amides for enhancing glutamatergic synaptic responses CORTEX PHARMACEUTICALS, INC. (US) 2013-03-26 US disclosed
US-8394805-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-03-12 US disclosed
WO-2013025882-A2 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MT. SINAI SCHOOL OF MEDICINE (US) 2013-02-21 WO disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 WO disclosed
US-20100120764-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES RESPIRERX PHARMACEUTICALS INC 2010-05-13 US 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 (10 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-20130303524-A1 Carbazole-Containing Sulfonamides as Cryptochrome Modulators CRY1, CRY2, CRYAB THRB 911/4885CYP3A4 141/4885CYP2C19 180/4885
US-11524966-B1 Carboxamides as ubiquitin-specific protease inhibitors USP28, USP25, USP24 THRB 4199/4885CYP3A4 2248/4885CYP2C19 2677/4885
US-20240067643-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME JAK3, JAK1, JAK2 THRB 3653/4885CYP3A4 1926/4885CYP2C19 1607/4885
US-20210284637-A1 SUBSTITUTED PYRROLOPYRIDINE JAK INHIBITORS AND METHODS OF MAKING AND USING THE SAME JAK3, JAK1, JAK2 THRB 3653/4885CYP3A4 1926/4885CYP2C19 1607/4885
US-20100120764-A1 DI-SUBSTITUTED AMIDES FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES DRD2, DRD3, GAP43 THRB 451/4885CYP3A4 4073/4885CYP2C19 3308/4885
US-20130137733-A1 Di-Substituted Amides for Enhancing Glutamatergic Synaptic Responses DRD2, DRD3, GAP43 THRB 451/4885CYP3A4 4073/4885CYP2C19 3308/4885
US-20210308140-A1 NLRP3 INFLAMMASOME INHIBITORS NLRP3, NLRP1, NOD1 THRB 1623/4885CYP3A4 1107/4885CYP2C19 2360/4885
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 THRB 1062/4885CYP3A4 1226/4885CYP2C19 1223/4885
US-20230174481-A1 KINASE INHIBITORS BTK, LYN, LCK THRB 1591/4885CYP3A4 4419/4885CYP2C19 3190/4885
US-11739086-B2 Substituted pyrrolopyridine JAK inhibitors and methods of making and using the same JAK3, JAK1, JAK2 THRB 3653/4885CYP3A4 1926/4885CYP2C19 1607/4885

“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.