SCHEMBL3536997

SCHEMBL3536997

Cc1ccccc1-c1nc(C(=O)O)cs1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.66
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 1/20 0.55
HPGDS O60760 1/20 0.54
PTGER1 P34995 1/20 0.53
HTR2B P41595 1/20 0.50
MAOA P21397 1/20 0.48
HTR2C P28335 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
EIF4E P06730 1/20 0.45

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
SCHEMBL28216860 0.85 HTR2B (0.69) ACHEALDH1A1HTR2BMAOAHTR2C
Ammonia Solution, Strong SCHEMBL27976670 0.84 HTR2B (0.68) ACHEALDH1A1HTR2BMAOAHTR2C
SCHEMBL25414298 0.83 ALDH1A1 (0.59) ACHEALDH1A1KDM4EHPGDSPTGER1
SCHEMBL6183496 0.83 ACHE (0.66) ACHEALDH1A1KDM4EHPGDSPTGER1
SCHEMBL30634999 0.81 ACHE (0.51) ACHEALDH1A1KDM4EHTR2BMAOA
SCHEMBL9823334 0.81 HTR2B (0.73) ACHEALDH1A1KDM4EHPGDSPTGER1
SCHEMBL2693403 0.81 ACHE (0.63) ACHEALDH1A1KDM4EHPGDSPTGER1
SCHEMBL3537686 0.81 ACHE (0.62) ACHEALDH1A1KDM4EHPGDSPTGER1
SCHEMBL15754817 0.80 RAB9A (0.60) ACHEALDH1A1KDM4EMAOA
SCHEMBL2545992 0.80 ACHE (0.61) ACHEALDH1A1KDM4EHPGDSPTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN claimed
EP-4727546-A2 PROTEOSOME COMPLEX INHIBITORS TARGETING CLPP1P2 PROTEASE The Global Alliance for TB Drug Development, Inc. (US) 2026-04-22 EP disclosed
WO-2025019626-A2 PROTEOSOME COMPLEX INHIBITORS TARGETING CLPP1P2 PROTEASE THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2025-01-23 WO disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
US-11834452-B2 CXCR7 antagonists CHEMOCENTRYX, INC. (US) 2023-12-05 US disclosed
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
US-20220127272-A1 CXCR7 ANTAGONISTS CHEMOCENTRYX, INC. 2022-04-28 US disclosed
CN-101730696-A 3-aza-bicyclo [3.3.0] octane compounds ACTELION PHARMACEUTICALS LTD 2010-06-09 CN disclosed
CN-101711247-A 2-cyclopropyl-thiazole derivatives ACTELION PHARMACEUTICALS LTD 2010-05-19 CN disclosed
US-7645773-B2 Thiazoles as inhibitors of 11β-hydroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
CN-101568533-A 3-heteroaryl (amino or amido)-1- (biphenyl or phenylthiazolyl) carbonylpiperdine derivatives as orexin receptor inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN disclosed
CN-101568536-A 2-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-10-28 CN disclosed
CN-101522618-A 3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD (CH) 2009-09-02 CN disclosed
CN-101370796-A Thiazoles as 11 beta-HSD1 inhibitors HOFFMANN LA ROCHE (CH) 2009-02-18 CN disclosed
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 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 (2 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-11834452-B2 CXCR7 antagonists CXCR1, CXCR5, CCR7 ACHE 4049/4885ALDH1A1 1699/4885KDM4E 4537/4885
US-20220127272-A1 CXCR7 ANTAGONISTS CXCR1, CXCR5, CCR7 ACHE 4049/4885ALDH1A1 1699/4885KDM4E 4537/4885

“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.