SCHEMBL1939690

SCHEMBL1939690

Cc1cc(C)cc(NC(=O)c2sccc2SCc2ccnc(NC(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALPG P10696 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 5/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ CCR2 P41597 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PTPRC P08575 3/20 0.38
▸ PTPRG P23470 3/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ IGF1R P08069 1/20 0.37
▸ LCK P06239 1/20 0.36

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
SCHEMBL1941188 0.87 L3MBTL1 (0.51) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1943028 0.86 PTPRC (0.48) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1941172 0.84 PKM (0.52) HPGDCCR2ALDH1A1LMNASCN9A
SCHEMBL4018614 0.83 L3MBTL1 (0.52) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1940433 0.81 L3MBTL1 (0.52) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL4024240 0.80 L3MBTL1 (0.54) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1941473 0.80 KDR (0.48) L3MBTL1CYP2C9CCR2ALDH1A1LMNA
SCHEMBL1941095 0.78 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1940258 0.75 L3MBTL1 (0.50) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9
SCHEMBL1942772 0.75 L3MBTL1 (0.57) L3MBTL1CYP1A2CYP3A4ALPGCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 (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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 L3MBTL1 2780/4885CYP1A2 3017/4885CYP3A4 1574/4885

“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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