SCHEMBL14060654

SCHEMBL14060654

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 12/20 0.40
▸ POLB P06746 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ CDK2 P24941 2/20 0.36
▸ CDK9 P50750 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CCNE1 P24864 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PGR P06401 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TXNRD1 Q16881 1/20 0.33

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
SCHEMBL13723022 0.87 HTT (0.44) CYP19A1POLBHTTTSHRPGR
SCHEMBL15648112 0.78 POLB (0.40) CYP19A1POLBHTTTSHRPGR
SCHEMBL14060330 0.77 TSHR (0.56) CYP19A1HTTTSHRMEN1LMNA
SCHEMBL16190133 0.76 CDK9 (0.37) CDK2CDK9CCNT1CCNE1PGR
SCHEMBL15542207 0.76 CYP19A1 (0.39) CYP19A1POLBHTTTSHRPGR
SCHEMBL3242505 0.75 HTT (0.50) CYP19A1POLBHTTTSHRMEN1
SCHEMBL16327649 0.75 CYP19A1 (0.41) CYP19A1POLBHTTTSHRPGR
SCHEMBL29045084 0.74 IDO1 (0.35) CYP19A1POLBTSHRMEN1LMNA
SCHEMBL1099111 0.74 CYP4F2 (0.42) CYP19A1POLBHTTTSHRPGR
SCHEMBL1098949 0.74 CYP19A1 (0.40) CYP19A1POLBHTTTSHRPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9962389-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-08 — — US disclosed
US-9962389-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2018-05-08 — — US disclosed
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-03 — — US disclosed
US-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-08-03 — — US disclosed
US-9669034-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-06 — — US disclosed
US-9669034-B2 4-aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2017-06-06 — — US disclosed
EP-2755948-B1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER IP GMBH (DE) 2016-05-25 — — EP disclosed
EP-2755948-B1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER IP GMBH (DE) 2016-05-25 — — EP disclosed
US-9133171-B2 Disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 — — US disclosed
US-9133171-B2 Disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 — — US disclosed
EP-2714654-B1 4-Aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER IP GMBH (DE) 2015-07-22 — — EP disclosed
EP-2714654-B1 4-Aryl-N-phenyl-1,3,5-triazin-2-amines containing a sulfoximine group BAYER IP GMBH (DE) 2015-07-22 — — EP disclosed
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 — — US disclosed
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-01 — — US disclosed
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 — — US disclosed
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-23 — — US disclosed
EP-2755948-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP Bayer Intellectual Property GmbH (DE) 2014-07-23 — — EP disclosed
WO-2013037894-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2013037894-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 — — WO disclosed
WO-2012160034-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-11-29 — — 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-20170217949-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 CYP19A1 727/4885POLB 266/4885HTT 908/4885
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 CYP19A1 727/4885POLB 266/4885HTT 908/4885
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, DPYD, TYMP CYP19A1 1115/4885POLB 116/4885HTT 3168/4885

“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.

Send feedback