SCHEMBL19782440

SCHEMBL19782440

C[C@H](Oc1cc2sc(Cl)nc2cc1F)[C@@H](C)OC(=O)Cl

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.36
KMT2A Q03164 2/20 0.35
PPARA Q07869 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
STING1 Q86WV6 4/20 0.32
ILK Q13418 4/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31

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
SCHEMBL19782442 0.81 ACACB (0.38) ACACBKMT2APPARASTING1ILK
SCHEMBL31113869 0.81 F2RL3 (0.44)
SCHEMBL21379686 0.79 ACACB (0.36) ACACB
SCHEMBL19783060 0.79 ACACB (0.36) ACACB
SCHEMBL21395332 0.76 F2RL3 (0.48)
SCHEMBL21396113 0.75 F2RL3 (0.53)
SCHEMBL19782441 0.73 F2RL3 (0.40)
SCHEMBL21942184 0.71 F2RL3 (0.44)
SCHEMBL19784769 0.71 F2RL3 (0.44)
SCHEMBL19784770 0.71 F2RL3 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ACACB 3722/4885KMT2A 2420/4885PPARA 2934/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 ACACB 3741/4885KMT2A 2390/4885PPARA 2450/4885

“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.