SCHEMBL17138015

SCHEMBL17138015

COC(=O)C(Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.68
CTSK P43235 4/20 0.68
CTSB P07858 2/20 0.68
CTSL P07711 1/20 0.68
KLK5 Q9Y337 1/20 0.67
ALDH1A1 P00352 1/20 0.61
THRB P10828 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
HSD17B10 Q99714 1/20 0.61
REN P00797 4/20 0.60
AKT1 P31749 1/20 0.59
ACE P12821 1/20 0.59
ATM Q13315 1/20 0.55

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
SCHEMBL30135036 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL6051752 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL27507036 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL20030598 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL17138017 1.00 CTSS (0.68) CTSSCTSKCTSBCTSLKLK5
SCHEMBL6292728 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL21473748 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL1196457 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL84524 0.95 KLK5 (0.72) CTSSCTSKCTSBCTSLKLK5
SCHEMBL29586741 0.94 CTSS (0.65) CTSSCTSKCTSBCTSLKLK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 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-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 CTSS 4146/4885CTSK 4035/4885CTSB 3936/4885

“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.