SCHEMBL14973232

SCHEMBL14973232

Cn1ncc(-c2nc(-c3ccc(S(N)(=O)=O)cc3)no2)c1COc1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.45
POLB P06746 1/20 0.45
CA2 P00918 11/20 0.44
CA9 Q16790 11/20 0.44
CA12 O43570 7/20 0.44
CA1 P00915 6/20 0.43
SMPD1 P17405 1/20 0.42
FFAR1 O14842 1/20 0.42
CHUK O15111 1/20 0.41
TXNRD1 Q16881 1/20 0.41
NOX4 Q9NPH5 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GSTP1 P09211 1/20 0.40

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
SCHEMBL14973056 0.95 CA9 (0.47) S1PR1POLBCA2CA9CA12
SCHEMBL14972979 0.91 S1PR1 (0.45) S1PR1CA2CA9CA12CA1
SCHEMBL14972959 0.91 POLB (0.45) S1PR1POLBSMPD1FFAR1CHUK
SCHEMBL14973080 0.90 CA2 (0.45) S1PR1CA2CA9CA12CA1
SCHEMBL14973104 0.90 CA9 (0.46) S1PR1POLBCA2CA9CA12
SCHEMBL14972950 0.90 S1PR1 (0.46) S1PR1POLBCA2CA9CA12
SCHEMBL14973011 0.89 S1PR1 (0.46) S1PR1CA2CA9CA12CA1
SCHEMBL14973246 0.89 CA2 (0.49) S1PR1CA2CA9CA12CA1
SCHEMBL14973326 0.88 S1PR1 (0.46) S1PR1CA2CA9CA12CA1
SCHEMBL14973249 0.87 CXCR1 (0.46) S1PR1POLBSMPD1FFAR1CHUK

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-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 S1PR1 2686/4885POLB 3540/4885CA2 2244/4885

“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.