SCHEMBL9610737

SCHEMBL9610737

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.64
CTSS P25774 1/20 0.64
CTSK P43235 1/20 0.64
MAPT P10636 3/20 0.63
TP53 P04637 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.61
TACR1 P25103 2/20 0.56
ACE P12821 2/20 0.56
HDAC8 Q9BY41 4/20 0.53
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
SSTR3 P32745 1/20 0.52

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
SCHEMBL15576717 1.00 CTSL (0.64) CTSLCTSSCTSKMAPTTP53
SCHEMBL9609497 0.91 CTSL (0.75) CTSLCTSSCTSKMAPTTP53
SCHEMBL9610735 0.91 CTSL (0.75) CTSLCTSSCTSKMAPTTP53
SCHEMBL10174744 0.89 ACE (0.70) CTSLCTSSCTSKMAPTTP53
SCHEMBL5253093 0.89 ACE (0.70) CTSLCTSSCTSKMAPTTP53
SCHEMBL5253098 0.89 ACE (0.70) CTSLCTSSCTSKMAPTTP53
SCHEMBL16383333 0.86 TACR1 (0.66) CTSLCTSSCTSKMAPTTP53
SCHEMBL5246171 0.86 TACR1 (0.66) CTSLCTSSCTSKMAPTTP53
SCHEMBL5246183 0.86 TACR1 (0.66) CTSLCTSSCTSKMAPTTP53
SCHEMBL28072220 0.85 CTSL (0.69) CTSLCTSSCTSKMAPTTP53

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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 CTSL 3057/4885CTSS 1979/4885CTSK 1318/4885

“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.