SCHEMBL16190133

SCHEMBL16190133

Cc1cc(F)cc(CS(C)(=N)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 11/20 0.37
▸ CDK2 P24941 10/20 0.37
▸ CCNT1 O60563 6/20 0.37
▸ CCNE1 P24864 4/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ PGR P06401 1/20 0.36
▸ NR3C2 P08235 1/20 0.36
▸ BCHE P06276 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ CCNK O75909 3/20 0.32
▸ CDK1 P06493 2/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ IDO1 P14902 2/20 0.31
▸ CCNE2 O96020 1/20 0.31
▸ YES1 P07947 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ FGR P09769 1/20 0.31
▸ SRC P12931 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CCNA2 P20248 1/20 0.31

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
SCHEMBL15473474 0.85 NR3C1 (0.38) CDK9CDK2CCNT1CCNE1NR3C1
SCHEMBL14060654 0.76 CYP19A1 (0.40) CDK9CDK2CCNT1CCNE1PGR
SCHEMBL17085642 0.75 NR3C1 (0.38) NR3C1PGRNR3C2
SCHEMBL17571471 0.73 KMT2A (0.41) NR3C1PGRNR3C2
SCHEMBL3403278 0.72 PGK1 (0.33) NR3C1PGRNR3C2ACHEIDO1
SCHEMBL30536216 0.72 PGK1 (0.33) NR3C1PGRNR3C2ACHEIDO1
SCHEMBL3297054 0.71 IDO1 (0.38) CDK9NR3C1PGRNR3C2IDO1
SCHEMBL14570491 0.71 ACHE (0.39) NR3C1PGRNR3C2ACHEIDO1
SCHEMBL24008848 0.70 CA1 (0.48) BCHEACHEIDO1
SCHEMBL24008851 0.69 DAO (0.44) CDK9CDK2CCNT1CCNE1CCNK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9133171-B2 Disubstituted 5-fluoro pyrimidine derivatives containing a sulfoximine group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-09-15 — — 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

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 CDK9 1303/4885CDK2 140/4885CCNT1 67/4885
US-20140315906-A1 4-ARYL-N-PHENYL-1,3,5-TRIAZIN-2-AMINES CONTAINING A SULFOXIMINE GROUP PAH, NAT1, SULT2A1 CDK9 1303/4885CDK2 140/4885CCNT1 67/4885
US-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, DPYD, TYMP CDK9 571/4885CDK2 125/4885CCNT1 209/4885

“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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