SCHEMBL1786640

SCHEMBL1786640

O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc[nH]c1=S

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 5/20 0.53
EPHX2 P34913 1/20 0.52
TRPV1 Q8NER1 3/20 0.51
TDP1 Q9NUW8 1/20 0.50
MAOB P27338 1/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
KDR P35968 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL15504912 0.86 ABL1 (0.62) ABL1EPHX2TRPV1TDP1MAOB
SCHEMBL1941087 0.83 PTGS1 (0.58) EPHX2TRPV1MAPTNPC1HTT
SCHEMBL1941422 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL9936655 0.79 KDM4E (0.61) TDP1MAPTMEN1NPC1KMT2A
SCHEMBL29168845 0.79 TDP1 (0.62) ABL1EPHX2TRPV1TDP1MAOB
SCHEMBL1785693 0.78 GAA (0.51) TDP1MAPTMEN1NPC1TSHR
SCHEMBL1942975 0.77 DHPS (0.61) TRPV1MAPTNPC1HTTSMN1; SMN2
SCHEMBL21937973 0.77 MEN1 (0.57) TDP1MAPTMEN1NPC1KMT2A
SCHEMBL8406641 0.77 PNLIP (0.67) EPHX2TRPV1TDP1MAOBMAPT
SCHEMBL21938150 0.77 LMNA (0.56) TDP1MAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
EP-1717229-B1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO LTD (JP) 2011-06-15 EP disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
US-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
EP-1717229-A1 NOVEL CYCLIC COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP HAVING (UN)SUBSTITUTED AMINO INTRODUCED THEREIN SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 ABL1 193/4885EPHX2 1431/4885TRPV1 503/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 ABL1 247/4885EPHX2 2508/4885TRPV1 3595/4885
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 ABL1 616/4885EPHX2 3354/4885TRPV1 2238/4885

“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.