SCHEMBL14784934

SCHEMBL14784934

CCSCc1cc(F)cc([N+](=O)[O-])c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 5/20 0.35
▸ PGR P06401 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RECQL P46063 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
SCHEMBL15649642 0.88 MAPT (0.42) POLBHTTCYP1A2CYP2C9CYP2C19
SCHEMBL13723487 0.83 TSHR (0.38) POLBHTTCYP1A2CYP2C9CYP2C19
SCHEMBL13723022 0.77 HTT (0.44) POLBHTTCYP1A2CYP2C19TSHR
SCHEMBL907368 0.76 LMNA (0.40) HTTCYP1A2CYP2C9MAPTMEN1
SCHEMBL16327649 0.75 CYP19A1 (0.41) POLBHTTTSHRMAPTPGR
SCHEMBL14060334 0.75 TSHR (0.57) POLBHTTCYP1A2CYP2C9CYP2C19
SCHEMBL14785329 0.75 CXCR4 (0.34) POLBHTTTSHRMAPTMEN1
SCHEMBL18536420 0.74 CYP1A2 (0.66) HTTCYP1A2CYP2C9CYP2C19TSHR
SCHEMBL1099111 0.74 CYP4F2 (0.42) POLBHTTCYP1A2CYP2C9TSHR
SCHEMBL13722667 0.74 TSHR (0.55) POLBHTTTSHRMAPTPGR

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 9 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
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
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

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 POLB 116/4885HTT 3168/4885CYP1A2 398/4885

“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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