SCHEMBL2998693

SCHEMBL2998693

CCCC(CCC)N1Cc2c(C(=O)OC)cc(N(C)S(C)(=O)=O)cc2C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.35
THRB P10828 1/20 0.35
TSHR P16473 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CRHR1 P34998 1/20 0.32
POLB P06746 2/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TARBP2 Q15633 1/20 0.30
BACE1 P56817 1/20 0.30
MAPK1 P28482 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
SCHEMBL3004858 0.92 KMT2A (0.35) KMT2AGAATHRBTSHRKDM4E
SCHEMBL2993853 0.89 BACE1 (0.31) KDM4EBACE1
SCHEMBL3006481 0.81 CHEK1 (0.39) GAATHRBTSHRKDM4EALDH1A1
SCHEMBL2993815 0.80 ITGB3 (0.35) BACE1
SCHEMBL2999779 0.79 CRHR1 (0.35) GAATHRBTSHRKDM4EALDH1A1
SCHEMBL2996210 0.73 CHEK1 (0.37) GAATHRBKDM4EHSD17B10CRHR1
SCHEMBL3005687 0.72 GRIA1 (0.38) KMT2AMEN1ALDH1A1LMNACRHR1
SCHEMBL2993123 0.72 CRHR1 (0.39) KMT2AKDM4ELMNACRHR1SMN1; SMN2
SCHEMBL3001241 0.71 ITGB3 (0.37) GAATHRBTSHRKDM4EALDH1A1
SCHEMBL3002076 0.71 GRIA1 (0.37) CRHR1

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-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

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 KMT2A 930/4885GAA 1958/4885THRB 3127/4885

“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.