SCHEMBL9609480

SCHEMBL9609480

CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.59
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
CTSS P25774 1/20 0.59
AAK1 Q2M2I8 1/20 0.58
HDAC8 Q9BY41 2/20 0.57
CAPN1 P07384 2/20 0.56
HDAC4 P56524 2/20 0.55
HDAC1 Q13547 2/20 0.55
REN P00797 2/20 0.55
EGFR P00533 1/20 0.54
HDAC3 O15379 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53
MAP1LC3B Q9GZQ8 1/20 0.53

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
SCHEMBL9610763 1.00 CTSK (0.59) CTSKCTSLCTSBCTSSAAK1
SCHEMBL26436607 0.88 HDAC4 (0.60) CTSKCTSLCTSBCTSSAAK1
SCHEMBL9610748 0.88 CAPN1 (0.50) CTSKCTSLCTSBCTSSAAK1
SCHEMBL15576741 0.88 CAPN1 (0.50) CTSKCTSLCTSBCTSSAAK1
SCHEMBL9490468 0.87 AAK1 (0.62) CTSKCTSLCTSBCTSSAAK1
SCHEMBL30134945 0.87 AAK1 (0.69) CTSKCTSLCTSBCTSSAAK1
SCHEMBL29410402 0.87 HDAC8 (0.57) CTSKCTSLCTSBCTSSHDAC8
SCHEMBL23188882 0.86 HDAC8 (0.59) CTSKCTSLCTSBCTSSHDAC8
SCHEMBL8699255 0.86 HDAC8 (0.59) CTSKCTSLCTSBCTSSHDAC8
SCHEMBL21024477 0.86 HDAC8 (0.59) CTSKCTSLCTSBCTSSHDAC8

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-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
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
EP-0060422-A2 Method for improving intestinal absorption of cephalosporin derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-09-22 EP 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 CTSK 1318/4885CTSL 3057/4885CTSB 3148/4885

“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.