SCHEMBL4675533

SCHEMBL4675533

CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)NNC(=O)OCC2c3ccccc3-c3ccccc32)s1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.43
CASP3 P42574 3/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PTPN1 P18031 1/20 0.41
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
TNF P01375 1/20 0.40
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39

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
SCHEMBL6356317 0.83 KMT2A (0.55) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL6358637 0.80 ATM (0.53) ATMCYP3A4TSHRITGB3ITGAV
SCHEMBL602597 0.78 ATM (0.56) ATMCYP3A4TSHR
SCHEMBL4676446 0.77 CTSK (0.66)
SCHEMBL23811018 0.77 KMT2A (0.52) KMT2ACASP3HDAC1HDAC2MDM4
SCHEMBL4674918 0.74 CTSK (0.65)
SCHEMBL4676161 0.74 KMT2A (0.53) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL4676167 0.74 KMT2A (0.53) KMT2ACASP3MDM4TP53EPHX2
SCHEMBL13695275 0.74 CTSL (0.53) KMT2ACASP3HDAC1HDAC2TNF
SCHEMBL20401006 0.74 CTSL (0.53) KMT2ACASP3HDAC1HDAC2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532134-B1 NOVEL THIOPHENE ACYL HYDRAZINO DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE AVENTIS PHARMA SA (FR) 2008-06-04 EP claimed
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 US claimed
US-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use AVENTIS PHARMA S.A. (FR) 2005-07-14 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-20050154048-A1 Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use CTSZ, CTSE, CTSS KMT2A 4026/4885ATM 3863/4885CASP3 669/4885

“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.