SCHEMBL21395713

SCHEMBL21395713

CCOC(=O)C1(C(O)c2cc(OC)cc3sc(N)nc23)CCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 9/20 0.34
HSD17B10 Q99714 5/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 2/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 5/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 1/20 0.34
CA2 P00918 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
USP9X Q93008 1/20 0.32
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 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
SCHEMBL19783802 0.90 CYP3A4 (0.36) MAPTALDH1A1HSD17B10CYP3A4TP53
SCHEMBL21379620 0.88 KMT2A (0.34) MAPTALDH1A1HPGDCA2MEN1
SCHEMBL21379670 0.79 MAPT (0.39) MAPTALDH1A1HSD17B10CYP3A4TP53
SCHEMBL19783656 0.78 USP9X (0.33) MAPTALDH1A1CYP3A4CYP1A2CYP2C19
SCHEMBL21379442 0.78 F2RL3 (0.51) CYP3A4
SCHEMBL21395891 0.76 CYP3A4 (0.37) MAPTALDH1A1HSD17B10CYP3A4TP53
SCHEMBL19782676 0.76 MAPT (0.35) MAPTALDH1A1HSD17B10CYP3A4TP53
SCHEMBL21379488 0.70 CYP3A4 (0.39) MAPTALDH1A1HSD17B10CYP3A4CYP1A2
SCHEMBL21379356 0.68 CYP3A4 (0.41) MAPTALDH1A1HSD17B10CYP3A4TP53
SCHEMBL19783795 0.67 KMT2A (0.33) ALDH1A1KMT2A

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 2 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

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 MAPT 1432/4885ALDH1A1 1618/4885HSD17B10 2283/4885
US-20210163465-A1 BICYCLIC HETEROARYL SUBSTITUTED COMPOUNDS F2, F2RL3, F12 MAPT 1155/4885ALDH1A1 1598/4885HSD17B10 2146/4885

“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.