SCHEMBL20156077

SCHEMBL20156077

CCOC(=O)C[C@H](NC(=O)c1cn(CCc2ccc3cccnc3n2)nc1COC(C)(C)C)c1ccc(OC)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
F11 P03951 1/20 0.34
PDE2A O00408 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.34
RPS6KA1 Q15418 1/20 0.34
LMNA P02545 1/20 0.33
SUCNR1 Q9BXA5 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
SCHEMBL21281650 0.88 ALDH1A1 (0.39) NPC1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL20156082 0.85 ITGB3 (0.49)
SCHEMBL21281684 0.83 SUCNR1 (0.37) NPC1THRBL3MBTL1MAPK1SUCNR1
SCHEMBL21281666 0.80 SUCNR1 (0.39) SUCNR1
SCHEMBL21272322 0.77 ITGB3 (0.57)
SCHEMBL29857150 0.77 ITGB3 (0.57)
SCHEMBL21272323 0.77 ITGB3 (0.57)
SCHEMBL23912908 0.77 NPC1 (0.34) NPC1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL21281625 0.77 ITGB3 (0.40) NPC1ALDH1A1MEN1KMT2ARXFP1
SCHEMBL20156299 0.76 ADORA3 (0.37) NPC1KDM4EPOLBLMNASUCNR1

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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-01 US disclosed
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-22 US disclosed
WO-2018089358-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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-10851098-B2 Azole amides and amines as alpha v integrin inhibitors ITGAV, ITGB1, ITGA1 NPC1 2104/4885ALDH1A1 779/4885MEN1 642/4885
US-20190256513-A1 AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB1, ITGA1 NPC1 2104/4885ALDH1A1 779/4885MEN1 642/4885

“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.