SCHEMBL4774773

SCHEMBL4774773

O=C(NCCS(=O)(=O)Cc1ccco1)c1ccc(NS(=O)(=O)CCc2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HIF1A Q16665 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
RAB9A P51151 1/20 0.42
NAMPT P43490 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
PKM P14618 2/20 0.40
TRPV1 Q8NER1 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL4776233 0.85 ALDH1A1 (0.66) L3MBTL1ALDH1A1TSHRHSD17B10HIF1A
SCHEMBL4772410 0.81 HIF1A (0.55) L3MBTL1ALDH1A1HIF1ACA12CA1
SCHEMBL4777693 0.80 HIF1A (0.54) L3MBTL1ALDH1A1HIF1ACA12CA1
SCHEMBL4770958 0.78 HIF1A (0.52) L3MBTL1TSHRHIF1ACA2NAMPT
SCHEMBL4774774 0.78 ALDH1A1 (0.56) L3MBTL1ALDH1A1RAB9APOLBHPGD
SCHEMBL4776613 0.78 HIF1A (0.50) L3MBTL1HIF1ACA12CA1CA2
SCHEMBL4768066 0.75 PTGES2 (0.49) L3MBTL1TSHRHIF1ARAB9ANAMPT
SCHEMBL4777299 0.73 L3MBTL1 (0.46) L3MBTL1ALDH1A1HIF1ACA12CA1
SCHEMBL4771196 0.73 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1HIF1ARAB9ANAMPT
SCHEMBL4777284 0.73 ACLY (0.49) L3MBTL1TSHRHIF1ARAB9ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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 (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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 L3MBTL1 2781/4885ALDH1A1 2159/4885TSHR 4714/4885

“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.