SCHEMBL841432

SCHEMBL841432

CSc1ccc(CO)cc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
SLC6A4 P31645 6/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A3 Q01959 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
S1PR1 P21453 2/20 0.35
SHBG P04278 1/20 0.34
HPGD P15428 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 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
SCHEMBL23278455 0.83 MAPT (0.39) ALDH1A1MAPTTAS1R3TAS1R1SLC6A4
SCHEMBL2090992 0.83 ALDH1A1 (0.38) ALDH1A1MAPTSLC6A4SLC6A2SLC6A3
SCHEMBL12303991 0.81 TRPA1 (0.40) ALDH1A1MAPTTAS1R3TAS1R1SLC6A4
SCHEMBL20928861 0.81 CYP3A4 (0.40) ALDH1A1MAPTTAS1R3TAS1R1SLC6A4
SCHEMBL15485782 0.79 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1SLC6A4HSD17B10
SCHEMBL12338829 0.79 SLC6A4 (0.39) ALDH1A1MAPTTAS1R3TAS1R1SLC6A4
SCHEMBL11470231 0.79 CYP3A4 (0.39) ALDH1A1MAPTTAS1R3TAS1R1SLC6A4
SCHEMBL11868272 0.79 CYP3A4 (0.39) ALDH1A1MAPTTAS1R3TAS1R1SLC6A4
SCHEMBL5757525 0.78 SLC6A2 (0.40) ALDH1A1MAPTSLC6A4SLC6A2SLC6A3
SCHEMBL6198392 0.78 RECQL (0.38) ALDH1A1MAPTSLC6A4SLC6A2SLC6A3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3558981-B1 PYRAN DERIVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS ORION CORP (FI) 2021-05-26 EP disclosed
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations JANSSEN PHARMACEUTICA NV (BE) 2019-02-05 US disclosed
US-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS JANSSEN PHARMACEUTICA NV (BE) 2017-10-12 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8143261-B2 Thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA AB (SE) 2012-03-27 US disclosed
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS ASTRAZENECA UK LIMITED 2009-11-12 US disclosed
EP-1348709-B1 Thiazolo[4,5-d]pyrimidine compounds for the treatment of rheumatoid arthritis ASTRAZENECA UK LTD (GB) 2008-01-16 EP disclosed
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA UK LIMITED, A BRITISH CORPORATION 2004-11-11 US disclosed
US-6790850-B1 Thiazolo(4,5-d)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2004-09-14 US disclosed
EP-1222195-B1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2004-01-14 EP disclosed
EP-1348709-A2 Thiazolo (4,5-D) pyrimidine compounds AstraZeneca UK Limited (GB) 2003-10-01 EP disclosed
EP-1222195-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS AstraZeneca UK Limited (GB) 2002-07-17 EP disclosed
WO-2001025242-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2001-04-12 WO 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 (4 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-20170290800-A1 GPR40 AGONISTS IN ANTI-DIABETIC DRUG COMBINATIONS GPR119, GLP1R, GPR65 ALDH1A1 2160/4885MAPT 2037/4885TAS1R3 693/4885
US-10195178-B2 GPR40 agonists in anti-diabetic drug combinations GPR119, GLP1R, GPR65 ALDH1A1 2160/4885MAPT 2037/4885TAS1R3 693/4885
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds TYMS, DPYD, TYMP ALDH1A1 307/4885MAPT 857/4885TAS1R3 539/4885
US-20090281123-A1 NOVEL THIAZOLO (4,5-D) PYRIMIDINE COMPOUNDS NOVEL COMPOUNDS TYMS, DPYD, TPMT ALDH1A1 625/4885MAPT 1022/4885TAS1R3 656/4885

“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.