SCHEMBL3606995

SCHEMBL3606995

Cc1nn(C)c(Oc2cc(CCC(=O)NS(C)(=O)=O)ccc2Cl)c1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.39
PPARG P37231 1/20 0.38
GRIN1 Q05586 7/20 0.38
GRIN2B Q13224 7/20 0.38
P2RX3 P56373 1/20 0.37
GPBAR1 Q8TDU6 2/20 0.37
AR P10275 1/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
KCNH2 Q12809 1/20 0.36
PLA2G10 O15496 1/20 0.35
KMT2A Q03164 2/20 0.35
MCL1 Q07820 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL3610034 0.84 SLC22A12 (0.43) PPARG
SCHEMBL3605874 0.82 CYP4F2 (0.42) P2RX3GPBAR1KMT2AALDH1A1CYP4F2
SCHEMBL3605106 0.77 GPBAR1 (0.36) GPBAR1KMT2A
SCHEMBL3610953 0.75 CYP4F2 (0.37) GPBAR1CYP4F2CYP4A11
SCHEMBL3615358 0.75 SMN1; SMN2 (0.49) PPARGP2RX3GPBAR1
SCHEMBL3618268 0.74 GPBAR1 (0.41) PPARGGPBAR1ALDH1A1
SCHEMBL3599881 0.73 GPBAR1 (0.40) GPBAR1KMT2ACYP4F2CYP4A11
SCHEMBL3618235 0.72 SMN1; SMN2 (0.47) GPBAR1ALDH1A1CYP4F2CYP4A11
SCHEMBL3614548 0.72 GPBAR1 (0.32) GPBAR1
SCHEMBL3604684 0.71 HSD17B10 (0.38) GPBAR1KMT2A

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-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R LIPG 727/4885PPARG 78/4885GRIN1 2550/4885

“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.