SCHEMBL15701587

SCHEMBL15701587

COC(=O)c1ccc(C)c(C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
GLA P06280 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
XDH P47989 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 1/20 0.43

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
SCHEMBL3990255 0.94 KDM4E (0.47) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL277597 0.92 GABRA1 (0.49) NOTUMKDM4EALDH1A1MAPTHPGD
SCHEMBL25143536 0.89 KDM4E (0.51) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL31665103 0.89 KDM4E (0.51) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL821898 0.86 KDM4E (0.59) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1606267 0.85 TSHR (0.42) ALDH1A1MAPTHSD17B10CA12CA1
SCHEMBL2874165 0.85 KDM4E (0.56) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL31455919 0.84 KDM4E (0.41) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL558183 0.84 CA12 (0.59) NOTUMKDM4EALDH1A1MAPTHSD17B10
SCHEMBL1930540 0.83 ALDH1A1 (0.55) NOTUMKDM4EALDH1A1MAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914740-B2 Tricyclic pyrido-carboxamide derivatives as rock inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-13 US disclosed
US-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-9346795-B2 Substituted sulfonamides useful as antiapoptotic Bcl inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-24 US disclosed
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 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-20160152628-A1 TRICYCLIC PYRIDO-CARBOXAMIDE DERIVATIVES AS ROCK INHIBITORS MYLK, MYLK2, ROCK1 NOTUM 3159/4885KDM4E 786/4885ALDH1A1 3223/4885
US-20140135318-A1 SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS BCL2, BAX, BCL2A1 NOTUM 3024/4885KDM4E 2440/4885ALDH1A1 2963/4885

“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.