SCHEMBL4018474

SCHEMBL4018474

COc1cc(CSc2ncccc2C(=O)O)ccn1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 1/20 0.65
ALDH1A1 P00352 7/20 0.64
CYP2C9 P11712 1/20 0.64
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.57
PKM P14618 1/20 0.57
KDM4E B2RXH2 3/20 0.57
HTT P42858 1/20 0.57
GAA P10253 1/20 0.55
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 2/20 0.48
HSD17B10 Q99714 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL4192206 0.89 ALDH1A1 (0.62) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL4018830 0.87 ALDH1A1 (0.60) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL28447594 0.84 PTPRG (0.54) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL4019729 0.84 SMN1; SMN2 (0.70) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL1939629 0.84 MEN1 (0.73) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL4017666 0.83 L3MBTL1 (0.65) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL9869842 0.83 KMT2A (0.68) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL4015846 0.82 KDR (0.53) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL15314446 0.82 ALDH1A1 (0.70) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1
SCHEMBL4017795 0.81 ALDH1A1 (0.65) SMN1; SMN2TP53ALDH1A1CYP2C9MEN1

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
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
EP-2527326-B1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO LTD (JP) 2014-10-08 EP disclosed
EP-1602647-B1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO LTD (JP) 2013-10-16 EP disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-8518973-B2 Compounds having 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-27 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-8207194-B2 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-26 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-7534802-B2 Compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-05-19 US disclosed
US-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2006-08-31 US disclosed
EP-1602647-A1 NOVEL COMPOUND HAVING 4-PYRIDYLALKYLTHIO GROUP AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-12-07 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-20060194836-A1 Novel compounds having 4-pyridylalkylthio group as substituent FLT4, FLT1, KDR SMN1; SMN2 4686/4885TP53 2992/4885ALDH1A1 1161/4885
US-20090286786-A1 Compounds having a 4-pyridylalkylthio group as a substituent FLT1, FLT4, PYM1 SMN1; SMN2 3986/4885TP53 2179/4885ALDH1A1 2180/4885
US-20120202817-A1 COMPOUNDS HAVING 4-PYRIDYLALKYLTHIO GROUP AS A SUBSTITUENT FLT1, PYM1, FLT4 SMN1; SMN2 3840/4885TP53 3231/4885ALDH1A1 1901/4885

“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.