SCHEMBL2997716

SCHEMBL2997716

CCCC(CCC)N1CCc2c(C(=O)O)cc(NS(C)(=O)=O)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.36
ITGA2B P08514 6/20 0.36
DHPS P49366 1/20 0.34
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
KCNA5 P22460 1/20 0.30
KCNH2 Q12809 1/20 0.30
HSP90AA1 P07900 1/20 0.30
CYP11B2 P19099 1/20 0.30

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
SCHEMBL3648443 0.91 POLB (0.32) ITGB3ITGA2BGRIN1GRIN2BKCNA5
SCHEMBL2996210 0.90 CHEK1 (0.37) ITGB3ITGA2BDHPSHTR1AHTR7
SCHEMBL3006179 0.81 ITGB3 (0.38) ITGB3ITGA2BDHPS
SCHEMBL3002199 0.81 ITGB3 (0.38) ITGB3ITGA2BDHPS
SCHEMBL3653143 0.80 ITGB3 (0.37) ITGB3ITGA2BDHPS
SCHEMBL2996231 0.75 DHPS (0.42) ITGB3ITGA2BDHPS
SCHEMBL2998670 0.72 DHPS (0.40) ITGB3ITGA2BDHPS
SCHEMBL3004858 0.71 KMT2A (0.35) ITGB3ITGA2BDHPS
SCHEMBL2993123 0.71 CRHR1 (0.39) ITGB3ITGA2BDHPS
SCHEMBL2993853 0.71 BACE1 (0.31)

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-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 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 (1 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 ITGB3 3447/4885ITGA2B 3449/4885DHPS 473/4885

“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.