SCHEMBL14973289

SCHEMBL14973289

Cn1ncc(-c2nc(-c3cccc(S(=O)(=O)O)c3)no2)c1COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 5/20 0.41
FFAR1 O14842 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
S1PR1 P21453 4/20 0.41
POLB P06746 1/20 0.40
SMPD1 P17405 1/20 0.39
MAPT P10636 1/20 0.38
ADORA2B P29275 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GSK3B P49841 1/20 0.38
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CHUK O15111 1/20 0.37
TXNRD1 Q16881 1/20 0.37
NOX4 Q9NPH5 1/20 0.37
SPHK2 Q9NRA0 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
SCHEMBL14972992 0.95 STAT3 (0.43) STAT3FFAR1NR1H4S1PR1POLB
SCHEMBL14973104 0.92 CA9 (0.46) STAT3FFAR1NR1H4S1PR1POLB
SCHEMBL14973177 0.91 S1PR1 (0.42) FFAR1S1PR1
SCHEMBL14972959 0.90 POLB (0.45) STAT3FFAR1S1PR1POLBSMPD1
SCHEMBL14973288 0.90 S1PR1 (0.42) FFAR1NR1H4S1PR1MAPT
SCHEMBL14973313 0.88 NR1H4 (0.45) STAT3FFAR1NR1H4S1PR1SMPD1
SCHEMBL14973315 0.87 CA9 (0.46) STAT3NR1H4S1PR1POLBADORA2B
SCHEMBL14973028 0.87 S1PR1 (0.41) STAT3FFAR1NR1H4S1PR1POLB
SCHEMBL14973198 0.86 SPHK2 (0.45) STAT3FFAR1POLBSMPD1ADORA2B
SCHEMBL14973268 0.86 NR1H4 (0.45) STAT3FFAR1NR1H4S1PR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2604602-A1 HETEROARYL-PYRAZOLE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2013-06-19 EP disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 US disclosed
US-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-05-30 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-20130137865-A1 HETEROARYL-PYRAZOLE DERIVATIVE GRIN2C, GRIN2B, GRIN3A STAT3 694/4885FFAR1 361/4885NR1H4 249/4885

“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.