SCHEMBL13723022

SCHEMBL13723022

CS(=O)(=O)Cc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP19A1 P11511 5/20 0.39
▸ TSHR P16473 2/20 0.38
▸ PGR P06401 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ TXNRD1 Q16881 1/20 0.35

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
SCHEMBL3242505 0.89 HTT (0.50) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL14060654 0.87 CYP19A1 (0.40) HTTPOLBCYP19A1TSHRPGR
SCHEMBL19220499 0.83 CYP4F2 (0.33) —
SCHEMBL13722513 0.81 HTT (0.43) HTTPOLBCYP19A1TSHRLMNA
SCHEMBL3297054 0.81 IDO1 (0.38) PGRMEN1KMT2A
SCHEMBL2872215 0.81 POLB (0.40) HTTPOLBTSHRLMNAMAPT
SCHEMBL15648112 0.81 POLB (0.40) HTTPOLBCYP19A1TSHRPGR
SCHEMBL16327649 0.78 CYP19A1 (0.41) HTTPOLBCYP19A1TSHRPGR
SCHEMBL14784934 0.77 POLB (0.39) HTTPOLBCYP19A1TSHRPGR
SCHEMBL1098949 0.77 CYP19A1 (0.40) HTTPOLBCYP19A1TSHRPGR

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207037-B1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2019-01-23 — — EP disclosed
EP-3207037-B1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFONE GROUP Bayer Pharma AG (DE) 2019-01-23 — — EP disclosed
US-9902716-B2 Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-27 — — US disclosed
US-9902716-B2 Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-27 — — US disclosed
US-9902716-B2 Fluorinated benzofuranyl-pyrimidine derivatives containing a sulfone group BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-27 — — US disclosed
EP-3207037-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SULFONE GROUP Bayer Pharma Aktiengesellschaft (DE) 2017-08-23 — — EP disclosed
US-20170226092-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SUFLONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 — — US disclosed
US-20170226092-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SUFLONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 — — US disclosed
US-20170226092-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SUFLONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 — — US disclosed
EP-2699554-B1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER IP GMBH (DE) 2016-11-02 — — EP disclosed
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-14 — — US disclosed
EP-2755956-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES Bayer Intellectual Property GmbH (DE) 2014-07-23 — — EP disclosed
WO-2014060376-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-04-24 — — WO disclosed
WO-2014060376-A1 4-(ORTHO)-FLUOROPHENYL-5-FLUOROPYRIMIDIN-2-YL AMINES CONTAINING A SULFONE GROUP BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-04-24 — — WO disclosed
EP-2699554-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES Bayer Intellectual Property GmbH (DE) 2014-02-26 — — EP disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 — — US disclosed
US-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-13 — — US disclosed
WO-2013037896-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2013037896-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2012143399-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO 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 (3 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-20140045852-A1 SUBSTITUTED 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES PAH, NAT1, H1-5 HTT 564/4885POLB 236/4885CYP19A1 338/4885
US-20170226092-A1 FLUORINATED BENZOFURANYL-PYRIMIDINE DERIVATIVES CONTAINING A SUFLONE GROUP FANCF, FLI1, FANCD2 HTT 4344/4885POLB 552/4885CYP19A1 756/4885
US-20140228387-A1 DISUBSTITUTED 5-FLUORO-PYRIMIDINES DPYD, DHFR, TYMP HTT 2799/4885POLB 83/4885CYP19A1 497/4885

“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.

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