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Sugi Predict / Compounds / SCHEMBL3085300

SCHEMBL3085300

SCHEMBL3085300

Cc1nn(Cc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)c(C)c1-c1ccc(C#N)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.55
▸ AR P10275 3/20 0.49
▸ BRD4 O60885 1/20 0.42
▸ BRD1 O95696 1/20 0.42
▸ BRPF1 P55201 1/20 0.42
▸ BRD9 Q9H8M2 1/20 0.42
▸ BRPF3 Q9ULD4 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ SGK1 O00141 1/20 0.42
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ FFAR1 O14842 1/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL3087297 0.87 AR (0.62) AR
SCHEMBL3086746 0.86 AR (0.43) PTGDR2AR
SCHEMBL3078827 0.86 AR (0.43) PTGDR2ARSGK1PTGS2SLC22A12
SCHEMBL3076100 0.84 AR (0.46) PTGDR2ARGAARORCSLC22A12
SCHEMBL3075688 0.84 AR (0.41) PTGDR2ARSGK1RORCSLC22A12
SCHEMBL3083284 0.84 AR (0.41) PTGDR2ARSLC22A12
SCHEMBL3069375 0.83 PTGDR2 (0.47) PTGDR2ARPTGS1PTGS2
SCHEMBL3084117 0.83 PGR (0.41) PTGDR2ARBRD4
SCHEMBL3063716 0.82 AR (0.44) PTGDR2ARRORCSLC22A12
SCHEMBL3069350 0.82 AR (0.44) PTGDR2ARPTGS1PTGS2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101842357-A Substituted pyrazole derivatives TAKEDA PHARMACEUTICAL 2010-09-22 — — CN disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
US-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-09 — — US disclosed
EP-2194045-A1 SUBSTITUTED PYRAZOLE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2010-06-09 — — EP disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — US disclosed
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-29 — — 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 (2 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-20100227846-A1 SUBSTITUTED PYRAZOLE DERIVATIVE AR, NR5A1, NR3C2 PTGDR2 385/4885AR 1/4885BRD4 301/4885
US-20090270359-A1 SUBSTITUTED PYRAZOLE DERIVATIVES AR, NR5A1, NR3C2 PTGDR2 404/4885AR 1/4885BRD4 311/4885

“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.