SCHEMBL17853102

SCHEMBL17853102

CC(C)c1c(CO)nnn1C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL23959177 0.82 NOTUM (0.31) NOTUMALDH1A1
SCHEMBL5275276 0.81 GAA (0.31)
SCHEMBL5281308 0.79 PDE10A (0.32)
SCHEMBL5277206 0.78 MAOB (0.33)
SCHEMBL5284998 0.76
SCHEMBL5279063 0.75 MAOB (0.40)
SCHEMBL14369254 0.71 GRIA1 (0.38)
SCHEMBL7195827 0.71 ALDH1A1 (0.46) NOTUMALDH1A1
SCHEMBL4216684 0.71
SCHEMBL18506418 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180127413-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2018-05-10 US disclosed
US-20180093983-A1 5H-PYRIDO[3,2-B]INDOLE COMPOUNDS AS ANTICANCER AGENTS BRISTOL MAYERS SQUIBB COMPANY (US) 2018-04-05 US disclosed
US-20170327498-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
US-9751879-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 US disclosed
US-9725449-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-08 US disclosed
US-20160333013-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2016-11-17 US disclosed
US-20160326173-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-20160318928-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2016-11-03 US disclosed
US-9458156-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20160176864-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 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 (7 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-20180093983-A1 5H-PYRIDO[3,2-B]INDOLE COMPOUNDS AS ANTICANCER AGENTS IDO1, IDO2, TPH1 NOTUM 3304/4885ALDH1A1 509/4885
US-20160318928-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, TOP2A NOTUM 1201/4885ALDH1A1 895/4885
US-20160326173-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 NOTUM 1906/4885ALDH1A1 1397/4885
US-20160333013-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS MCL1, TP53, TOP2A NOTUM 2303/4885ALDH1A1 696/4885
US-20180127413-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, TOP2A NOTUM 1500/4885ALDH1A1 1049/4885
US-20160176864-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 NOTUM 1906/4885ALDH1A1 1397/4885
US-20170327498-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 NOTUM 1906/4885ALDH1A1 1397/4885

“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.