SCHEMBL6358637

SCHEMBL6358637

CC(NC(=O)OCc1ccccc1)c1ccc(C(=O)NN)s1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
ELANE P08246 2/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
CTSK P43235 3/20 0.46
CYP3A4 P08684 3/20 0.45
TSHR P16473 3/20 0.45
PRTN3 P24158 2/20 0.45
CTRB1 P17538 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CTSL P07711 1/20 0.44
CTSS P25774 1/20 0.44

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
SCHEMBL602597 0.89 ATM (0.56) ATMELANECTSKCYP3A4TSHR
SCHEMBL4676446 0.83 CTSK (0.66) CTSKCTSLCTSS
SCHEMBL4674921 0.80 CTSK (0.65) CTSKCTSLCTSS
SCHEMBL4674918 0.80 CTSK (0.65) CTSKCTSLCTSS
SCHEMBL4675533 0.80 KMT2A (0.46) ATMITGB3ITGAVITGA2BCYP3A4
SCHEMBL4678519 0.75 CTSK (0.53) ATMCTSKCTSLCTSS
SCHEMBL8530402 0.75 ATM (0.68) ATMELANECTSKCYP3A4TSHR
SCHEMBL21469067 0.75 ATM (0.68) ATMELANECTSKCYP3A4TSHR
SCHEMBL30460502 0.75 ATM (0.68) ATMELANECTSKCYP3A4TSHR
SCHEMBL28546805 0.74 CTSK (0.62) ATMELANECTSKCTRB1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ATM 3863/4885ELANE 206/4885ITGB3 4332/4885

“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.