SCHEMBL19783119

SCHEMBL19783119

C[C@H](Oc1cc2sc(Br)nc2cc1F)[C@@H](C)O

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 4/20 0.36
ILK Q13418 10/20 0.34
ACACB O00763 2/20 0.33
F2RL3 Q96RI0 1/20 0.31
PPARA Q07869 2/20 0.30

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
SCHEMBL21379450 1.00 STING1 (0.36) STING1ILKACACBF2RL3PPARA
SCHEMBL19783337 0.85 ILK (0.37) STING1ILKACACB
SCHEMBL19783121 0.82 STING1 (0.36) STING1ILKACACB
SCHEMBL19783677 0.80 ACACB (0.40) STING1ILKACACBF2RL3
SCHEMBL21379409 0.80 ACACB (0.40) STING1ILKACACBF2RL3
SCHEMBL19784621 0.77 ILK (0.51) STING1ILK
SCHEMBL19783141 0.75
SCHEMBL19783660 0.73 STING1 (0.32) STING1
SCHEMBL19782975 0.71 PIK3CD (0.38) ILKACACBF2RL3
SCHEMBL3091345 0.71 ILK (0.38) ILKF2RL3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20190292176-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, PF4 STING1 4874/4885ILK 2829/4885ACACB 3722/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 STING1 4873/4885ILK 2999/4885ACACB 3741/4885

“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.