SCHEMBL624490

SCHEMBL624490

NC(=O)c1ccc2c(c1)OCCO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 1.00
KDM4E B2RXH2 4/20 0.61
ATM Q13315 1/20 0.61
HPGD P15428 2/20 0.57
PKM P14618 1/20 0.57
MAPT P10636 2/20 0.56
CTNNB1 P35222 3/20 0.56
RECQL P46063 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
CHEK2 O96017 1/20 0.54
WNT3A P56704 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL29410881 1.00 TSHR (1.00) TSHRKDM4EATMHPGDPKM
SCHEMBL18072578 0.94 TSHR (0.89) TSHRKDM4EATMHPGDPKM
SCHEMBL31207820 0.92 TSHR (0.86) TSHRKDM4EATMHPGDPKM
SCHEMBL2842748 0.92 TSHR (0.86) TSHRKDM4EATMHPGDPKM
SCHEMBL57650 0.88 TSHR (0.79) TSHRHPGDPKMMAPTCTNNB1
Hydrochloric Acid SCHEMBL5013416 0.86 TSHR (0.76) TSHRHPGDPKMMAPTCTNNB1
Hydrochloric Acid SCHEMBL30589973 0.86 TSHR (0.76) TSHRHPGDPKMMAPTCTNNB1
SCHEMBL4765745 0.85 TSHR (0.73) TSHRKDM4EATMHPGDPKM
SCHEMBL2496047 0.84 TSHR (0.72) TSHRKDM4EATMHPGDPKM
SCHEMBL4824992 0.83 NPSR1 (0.74) TSHRKDM4EATMHPGDPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20100222330-A1 New Compounds BIOVITRUM AB (SE) 2010-09-02 US claimed
EP-2001478-B1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-06-02 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
US-7572787-B2 Substituted naphthalene sulfonamides BIOVITRUM AB (SE) 2009-08-11 US claimed
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2009-04-23 US claimed
EP-2001478-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2008-12-17 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
WO-2007107965-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2007-09-27 WO claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
US-20070066600-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2007-03-22 US claimed
US-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors ELI LILLY AND COMPANY PATENT DIVISION (US) 2006-09-21 US claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1610779-A1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-01-04 EP claimed
WO-2004093872-A1 3-OXO-1, 3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS ELI LILLY AND COMPANY (US) 2004-11-04 WO claimed
EP-1412325-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2004-04-28 EP claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 WO claimed
WO-2002072567-A2 HETEROCYCLIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2002-09-19 WO 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 (5 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-20060211755-A1 3-oxo-1, 3-dihydro-indazole-2-carboxylic acid amide derivatives as phospholipase inhibitors C5AR2, C3AR1, C5AR1 TSHR 1374/4885KDM4E 3657/4885ATM 4131/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 TSHR 2316/4885KDM4E 3527/4885ATM 2337/4885
US-20070066600-A1 Compounds SULT2A1, STS, SLC5A2 TSHR 1299/4885KDM4E 3286/4885ATM 3191/4885
US-20090105232-A1 CYCLOHEXYL OR PIPERIDINYL CARBOXAMIDE ANTIBIOTIC DERIVATIVES CBR3, RXFP4, ODC1 TSHR 451/4885KDM4E 1497/4885ATM 4216/4885
US-20100222330-A1 New Compounds SULT2A1, GPR119, STS TSHR 1178/4885KDM4E 3591/4885ATM 3176/4885

“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.