SCHEMBL4768044

SCHEMBL4768044

CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(NS(=O)(=O)CCc2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
HSP90AA1 P07900 1/20 0.49
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
TSHR P16473 1/20 0.45
LIMK2 P53671 7/20 0.42
TAS2R14 Q9NYV8 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
LIMK1 P53667 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL4767802 0.83 KMT2A (0.64) HPGDHSP90AA1MEN1KMT2APKM
SCHEMBL4768048 0.79 HPGD (0.54) HPGDHSP90AA1MEN1KMT2APKM
SCHEMBL10107755 0.73 HSP90AA1 (0.66) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL95064 0.72 HPGD (0.65) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL4774741 0.71 HPGD (0.58) HPGDMEN1KMT2AALDH1A1TSHR
SCHEMBL4768066 0.71 PTGES2 (0.49) HPGDMEN1KMT2ATSHR
SCHEMBL20988773 0.70 HPGD (0.59) HPGDHSP90AA1MEN1KMT2AALDH1A1
SCHEMBL4776613 0.69 HIF1A (0.50) HPGD
SCHEMBL4777284 0.69 ACLY (0.49) HPGDMEN1KMT2ATSHR
SCHEMBL4777693 0.68 HIF1A (0.54) HPGDKMT2AALDH1A1

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
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US 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 HPGD 2681/4885HSP90AA1 726/4885MEN1 1302/4885

“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.