SCHEMBL476413

SCHEMBL476413

Cc1cccc(S(=O)(=O)c2cc(CC(NC(=O)O)C(C)(C)C)nn2-c2cccnc2F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
HTR6 P50406 3/20 0.35
GRM4 Q14833 3/20 0.32
NAMPT P43490 3/20 0.32
MAPK1 P28482 1/20 0.31
HTR1E P28566 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALKBH2 Q6NS38 1/20 0.31
ALKBH3 Q96Q83 1/20 0.31
FTO Q9C0B1 1/20 0.31
FPR1 P21462 1/20 0.31
SLC40A1 Q9NP59 1/20 0.31
GRM1 Q13255 2/20 0.31
HRH1 P35367 1/20 0.31
GRM5 P41594 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31

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
SCHEMBL3700741 0.93 PTGDR2 (0.34) ABCC9ABCC8KCNJ11KCNJ8HTR6
SCHEMBL476336 0.92 HTR6 (0.31) HTR6NAMPTFPR1
SCHEMBL476324 0.90 COMT (0.35) HTR6FPR1
SCHEMBL476393 0.90 APLNR (0.34) NAMPTFPR1SLC40A1
SCHEMBL3697998 0.87 P2RX7 (0.35) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL476363 0.82 HTR6 (0.39) HTR6GRM4NAMPTSLC40A1
SCHEMBL476471 0.82 NAMPT (0.35) HTR6GRM4NAMPT
SCHEMBL3697138 0.82 SLC16A3 (0.34) ABCC9ABCC8KCNJ11KCNJ8LMNA
SCHEMBL3699809 0.82 FPR1 (0.39) ABCC9ABCC8KCNJ11KCNJ8NAMPT
SCHEMBL3697760 0.81 NR1I2 (0.35) ABCC9ABCC8KCNJ11KCNJ8NAMPT

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-8895588-B2 Pyrazole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-25 US disclosed
US-20120095057-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-19 US disclosed
EP-2412713-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2012-02-01 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-20120095057-A1 PYRAZOLE COMPOUND CEL, HRH2, GIPR ABCC9 1162/4885ABCC8 1623/4885KCNJ11 976/4885

“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.