SCHEMBL2996210

SCHEMBL2996210

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
FYN P06241 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PDGFRB P09619 1/20 0.37
PIM1 P11309 1/20 0.37
FGFR1 P11362 1/20 0.37
PRKACA P17612 1/20 0.37
LTK P29376 1/20 0.37
GRK5 P34947 1/20 0.37
KDR P35968 1/20 0.37
MAP2K2 P36507 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL3006481 0.92 CHEK1 (0.39) CHEK1AURKADAPK3JAK2ABL1
SCHEMBL2997716 0.90 ITGB3 (0.36) ITGB3ITGA2BDHPSHTR1AHTR7
SCHEMBL3005687 0.83 GRIA1 (0.38) ITGB3ITGA2BGRIA1GRIA2GRIA3
SCHEMBL2993123 0.83 CRHR1 (0.39) ITGB3ITGA2BGRIA1GRIA2GRIA3
SCHEMBL3004858 0.82 KMT2A (0.35) ITGB3ITGA2BGRIA1GRIA2GRIA3
SCHEMBL3001241 0.82 ITGB3 (0.37) ITGB3ITGA2BGRIA1GRIA2GRIA3
SCHEMBL3002076 0.82 GRIA1 (0.37) ITGB3ITGA2BGRIA1GRIA2GRIA3
SCHEMBL3648443 0.81 POLB (0.32) AURKAKDRAURKBITGB3ITGA2B
SCHEMBL2993872 0.78 ALDH1A1 (0.45) ITGB3ITGA2BGRIA1GRIA2GRIA3
SCHEMBL3005921 0.77 MAPT (0.41) ITGB3ITGA2BPOLBCRHR1KDM4E

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 CHEK1 4314/4885AURKA 1360/4885DAPK3 315/4885

“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.