SCHEMBL6495005

SCHEMBL6495005

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)CCl

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.69
CTSS P25774 4/20 0.65
CTSL P07711 4/20 0.65
CTSB P07858 2/20 0.65
CAPN1 P07384 1/20 0.59
CAPN2 P17655 1/20 0.59
CASP1 P29466 1/20 0.59
CASP3 P42574 1/20 0.59
CASP7 P55210 1/20 0.59
CASP6 P55212 1/20 0.59
CASP8 Q14790 1/20 0.59
PSMB1 P20618 1/20 0.58
PSMB5 P28074 1/20 0.58
PSMB2 P49721 1/20 0.58

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
SCHEMBL29865964 1.00 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823946 0.89 CTSK (0.72) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8837408 0.88 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8837405 0.88 CTSK (0.70) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7287480 0.87 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL7287486 0.87 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8583015 0.87 CTSK (0.66) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL8823908 0.87 CTSK (0.69) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL17663318 0.86 CTSK (0.72) CTSKCTSSCTSLCTSBPSMB1
SCHEMBL1823902 0.86 CTSK (0.76) CTSKCTSSCTSLCTSBCAPN1

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
US-6888012-B2 Reducing an alpha -haloketone compound by asymmetric hydrogen transfer in presence of a group 9 transition metal compound having a substituted or unsubstituted cyclopentadienyl group and an optically active diamine compound AJINOMOTO CO., INC. (JP) 2005-05-03 US disclosed
US-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals AJINOMOTO CO., INC. (JP) 2004-04-29 US disclosed
EP-1346972-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE HALOHYDRIN COMPOUND Ajinomoto Co., Inc. (JP) 2003-09-24 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-20040082820-A1 Hydrogen transfer reduction; useful as intermediate for production of pharmaceuticals/agricultural chemicals DHPS, HDHD5, HYPK CTSK 505/4885CTSS 2419/4885CTSL 3492/4885

“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.