SCHEMBL14785262

SCHEMBL14785262

Nc1cc(F)cc(CSC2CC2)c1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.37
▸ KMT2A Q03164 1/20 0.32
▸ PARP14 Q460N5 1/20 0.31
▸ IDO1 P14902 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
SCHEMBL28370073 0.76 KMT2A (0.41) KMT2A
SCHEMBL14060842 0.73 IDO1 (0.34) EPHX1IDO1
SCHEMBL30515527 0.73 IDO1 (0.34) EPHX1IDO1
SCHEMBL14060843 0.73 MAOB (0.46) KMT2A
SCHEMBL14785329 0.72 CXCR4 (0.34) EPHX1KMT2A
SCHEMBL27722325 0.72 LOXL2 (0.44) IDO1
SCHEMBL14785249 0.70 IDO1 (0.32) IDO1
SCHEMBL8234445 0.68 IDO1 (0.39) IDO1
SCHEMBL25707543 0.67 IDO1 (0.35) IDO1
SCHEMBL25077209 0.66 IDO1 (0.38) IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103930399-B Disubstituted 5-fluoropyrimidine derivatives comprising an iminosulfinyl group BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-03-16 — — CN 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
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-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
EP-2755948-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP Bayer Intellectual Property GmbH (DE) 2014-07-23 — — EP disclosed
CN-103930399-A Disubstituted 5-fluoropyrimidine derivatives comprising an iminosulfinyl group BAYER IP GMBH 2014-07-16 — — CN 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

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-20150005329-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP DHFR, DPYD, TYMP EPHX1 543/4885KMT2A 3293/4885PARP14 2316/4885

“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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