SCHEMBL4776233

SCHEMBL4776233

O=C(NCCSCc1ccco1)c1ccc(NS(=O)(=O)CCc2ccccc2Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
L3MBTL1 Q9Y468 2/20 0.66
HSD17B10 Q99714 2/20 0.66
TSHR P16473 1/20 0.66
POLB P06746 5/20 0.54
HPGD P15428 3/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.47
HIF1A Q16665 1/20 0.46
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
RECQL P46063 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL4774773 0.85 L3MBTL1 (0.46) ALDH1A1L3MBTL1HSD17B10TSHRPOLB
SCHEMBL4772410 0.80 HIF1A (0.55) ALDH1A1L3MBTL1POLBHPGDMAPT
SCHEMBL4777693 0.79 HIF1A (0.54) ALDH1A1L3MBTL1HPGDMAPTLMNA
SCHEMBL4776235 0.78 ALDH1A1 (0.77) ALDH1A1L3MBTL1HSD17B10TSHRPOLB
SCHEMBL4770958 0.77 HIF1A (0.52) L3MBTL1TSHRHPGDMAPTKMT2A
SCHEMBL4776613 0.76 HIF1A (0.50) L3MBTL1HPGDMAPTLMNASMN1; SMN2
SCHEMBL4768066 0.74 PTGES2 (0.49) L3MBTL1TSHRPOLBHPGDMAPT
SCHEMBL29419341 0.74 ALDH1A1 (0.69) ALDH1A1L3MBTL1HSD17B10TSHRPOLB
SCHEMBL4777299 0.72 L3MBTL1 (0.46) ALDH1A1L3MBTL1POLBHPGDMAPT
SCHEMBL4771196 0.71 SMN1; SMN2 (0.53) ALDH1A1L3MBTL1KMT2ASMN1; SMN2KDM4E

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 ALDH1A1 2159/4885L3MBTL1 2781/4885HSD17B10 2654/4885

“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.