SCHEMBL3605188

SCHEMBL3605188

Cc1nn(C)c(Oc2ccc(CC(=O)O)cc2Cl)c1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
SLC22A12 Q96S37 4/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PPARD Q03181 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
PTGDR2 Q9Y5Y4 3/20 0.39
ROCK2 O75116 1/20 0.38
CHRM1 P11229 1/20 0.38
DGAT1 O75907 2/20 0.38
SOAT1 P35610 2/20 0.38
PTGDR Q13258 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR1 O14842 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38

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
SCHEMBL3612387 0.87 SLC22A12 (0.42) CA2SLC22A12THRATHRBPPARD
SCHEMBL3609422 0.86 SMN1; SMN2 (0.51) CA2SLC22A12THRATHRBPPARD
SCHEMBL3610034 0.79 SLC22A12 (0.43) SLC22A12KDM4EMAPTPTGDR2FFAR1
SCHEMBL3596017 0.78 PPARG (0.39) CA2ROCK2
SCHEMBL3618268 0.77 GPBAR1 (0.41) PPARDKDM4EMAPTPTGDR2ALDH1A1
SCHEMBL3609589 0.76 ALDH1A1 (0.39) KDM4EMAPTALDH1A1GPBAR1
SCHEMBL3605106 0.75 GPBAR1 (0.36) KDM4EMAPTGPBAR1
SCHEMBL3610277 0.74 PTPN11 (0.41) KDM4EMAPTGPBAR1
SCHEMBL3604684 0.74 HSD17B10 (0.38) KDM4EMAPTGAAROCK2HSD17B10
SCHEMBL3604682 0.74 HSD17B10 (0.38) KDM4EMAPTGAAROCK2HSD17B10

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 CA2 857/4885SLC22A12 608/4885THRA 2464/4885

“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.