SCHEMBL3894715

SCHEMBL3894715

CCOC(=O)c1ccc2ncc(S(C)(=O)=O)c(OCC)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CREBBP Q92793 1/20 0.45
HCRTR1 O43613 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL3881279 0.87 NPC1 (0.47) PAX8NPC1RAB9AMAPTTP53
SCHEMBL3883682 0.87 ALDH1A1 (0.57) PAX8NPC1RAB9AMAPTTP53
SCHEMBL3881847 0.82 NPC1 (0.56) PAX8NPC1RAB9AMAPTTP53
SCHEMBL3887464 0.77 ALDH1A1 (0.40) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL23249853 0.74 MAPT (0.52) PAX8NPC1RAB9AMAPTTP53
SCHEMBL23384356 0.74 ALDH1A1 (0.54) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL27668254 0.74 NPC1 (0.52) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL10465497 0.74 MAPT (0.61) PAX8NPC1RAB9AMAPTTP53
SCHEMBL1688436 0.72 ALDH1A1 (0.50) NPC1RAB9AMAPTTP53KDM4E
SCHEMBL9070470 0.70 CA12 (0.56) NPC1RAB9AMAPTTP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 PAX8 1661/4885NPC1 3984/4885RAB9A 3060/4885

“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.