SCHEMBL129628

SCHEMBL129628

CCOC(=O)c1n[c]cs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 3/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA7 P43166 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
HPGD P15428 3/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL129060 0.86 ALDH1A1 (0.43) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL9381822 0.82 TSHR (0.47) MAPTALDH1A1NPC1RAB9ATSHR
SCHEMBL126729 0.79
SCHEMBL128202 0.75 CA12 (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL19028033 0.71 TSHR (0.37) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL17056166 0.69 ALDH1A1 (0.42) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL837325 0.69 ALDH1A1 (0.55) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL7207826 0.69 ALDH1A1 (0.39) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL108390 0.69 MAPT (0.50) MAPTALDH1A1NPC1RAB9AMEN1
SCHEMBL19028053 0.69 CYP4F2 (0.34) MAPTALDH1A1NPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786782-B1 BISARYL-SULFONAMIDES AMGEN INC (US) 2010-03-31 EP claimed
EP-1786782-A2 BISARYL-SULFONAMIDES Amgen Inc. (US) 2007-05-23 EP claimed
US-20060084802-A1 Bisaryl-sulfonamides AMGEN INC. 2006-04-20 US claimed
WO-2006020830-A2 BISARYL-SULFONAMIDES AMGEN INC. (US) 2006-02-23 WO claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
CN-102802419-A HEDGEHOG inhibitors SELEXAGEN THERAPEUTICS INC 2012-11-28 CN disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-7893077-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2011-02-22 US disclosed
EP-1786782-B1 BISARYL-SULFONAMIDES AMGEN INC (US) 2010-03-31 EP disclosed
US-20090221584-A1 Bisaryl-sulfonamides AMGEN INC. 2009-09-03 US disclosed
US-7544702-B2 Bisaryl-sulfonamides AMGEN INC. (US) 2009-06-09 US disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
EP-1786782-A2 BISARYL-SULFONAMIDES Amgen Inc. (US) 2007-05-23 EP disclosed
US-20060084802-A1 Bisaryl-sulfonamides AMGEN INC. 2006-04-20 US disclosed
WO-2006020830-A2 BISARYL-SULFONAMIDES AMGEN INC. (US) 2006-02-23 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 (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-20090221584-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG MAPT 4602/4885ALDH1A1 2237/4885NPC1 1084/4885
US-20060084802-A1 Bisaryl-sulfonamides PPARD, PPARA, PPARG MAPT 4602/4885ALDH1A1 2237/4885NPC1 1084/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 MAPT 4877/4885ALDH1A1 580/4885NPC1 1907/4885

“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.