SCHEMBL19783291

SCHEMBL19783291

COc1cc(C=O)c(O)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
KDM4E B2RXH2 2/20 0.52
TSHR P16473 1/20 0.52
ERN1 O75460 12/20 0.51
TRIM24 O15164 2/20 0.49
TRIM33 Q9UPN9 2/20 0.49
TYR P14679 1/20 0.49
PRKDC P78527 2/20 0.47
TLR2 O60603 1/20 0.44
TLR1 Q15399 1/20 0.44
TLR6 Q9Y2C9 1/20 0.44
AOX1 Q06278 1/20 0.44
HPGD P15428 1/20 0.44
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL31652446 0.94 ERN1 (0.53) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL15349701 0.94 ERN1 (0.53) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL416272 0.85 ALDH1A1 (0.52) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL333221 0.84 ALDH1A1 (0.65) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL29730976 0.84 ALDH1A1 (0.65) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL1004432 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL22635018 0.82 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL20488498 0.82 ALDH1A1 (0.69) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL29459687 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRERN1
SCHEMBL2915368 0.82 ALDH1A1 (0.57) ALDH1A1TDP1KDM4ETSHRERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12060347-B2 Bicyclic heteroaryl substituted compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-13 US disclosed
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-03 US disclosed
EP-3484878-B1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-08-19 EP disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BISTOL MYERS SQUIBB COMPANY (US) 2019-09-26 US disclosed
EP-3484878-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS Bristol-Myers Squibb Company (US) 2019-05-22 EP disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 WO disclosed
WO-2018013774-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-18 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 (3 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-12060347-B2 Bicyclic heteroaryl substituted compounds F2, F2RL3, F12 ALDH1A1 1598/4885TDP1 227/4885KDM4E 2420/4885
US-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 ALDH1A1 1618/4885TDP1 353/4885KDM4E 1865/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ALDH1A1 1598/4885TDP1 227/4885KDM4E 2420/4885

“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.