SCHEMBL26091014

SCHEMBL26091014

CCOC(=O)Cc1ncc(Br)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
DPP4 P27487 2/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
CNR2 P34972 1/20 0.39
OPRK1 P41145 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CASP9 P55211 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL10515631 0.85 DPP4 (0.43) CYP2C19DPP4TSHRSMN1; SMN2MAPT
SCHEMBL10515506 0.83 DPP4 (0.41) DPP4SMN1; SMN2MAPTMAPK1CASP3
SCHEMBL25366158 0.83 AGBL2 (0.50) CYP2C19CYP1A2DPP4SMN1; SMN2MAPT
SCHEMBL30499537 0.81 DPP4 (0.42) CYP2C19CYP1A2CYP3A4DPP4HSD17B10
SCHEMBL15897838 0.81 DPP4 (0.42) CYP2C19CYP1A2CYP3A4DPP4HSD17B10
SCHEMBL17436079 0.81 SMN1; SMN2 (0.48) CYP2C19CYP1A2CYP3A4DPP4HSD17B10
SCHEMBL10515102 0.81 MEN1 (0.40) CYP2C19DPP4SMN1; SMN2MAPTMAPK1
SCHEMBL924177 0.80 GABRP (0.45) TSHRHSD17B10SMN1; SMN2MAPTCNR2
SCHEMBL10515471 0.80 SMN1; SMN2 (0.49) TSHRHSD17B10SMN1; SMN2MAPTMAPK1
SCHEMBL14108033 0.80 MAPT (0.40) CYP2C19CYP1A2CYP3A4DPP4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240425501-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2024-12-26 US disclosed
WO-2023067546-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-04-27 WO disclosed
WO-2023067546-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-04-27 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-20240425501-A1 NOVEL BICYCLIC HETEROARYL DERIVATIVES AS SOS1:KRAS PROTEINPROTEIN INTERACTION INHIBITORS KRAS, NRAS, SOS1 CYP2C19 2380/4885CYP1A2 2851/4885CYP3A4 1942/4885

“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.