SCHEMBL21473748

SCHEMBL21473748

COC(=O)C(Cc1ccccccccc1)NC(=O)OC(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 2/20 0.72
CTSS P25774 4/20 0.67
CTSK P43235 3/20 0.67
CTSB P07858 2/20 0.67
CTSL P07711 1/20 0.67
ACE P12821 1/20 0.64
ATM Q13315 2/20 0.60
ALDH1A1 P00352 3/20 0.59
THRB P10828 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
HSD17B10 Q99714 1/20 0.59
POLB P06746 1/20 0.58
AKT1 P31749 1/20 0.58
EPHX2 P34913 1/20 0.57
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
GLA P06280 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
SCHEMBL84524 1.00 KLK5 (0.72) KLK5CTSSCTSKCTSBCTSL
SCHEMBL1196457 1.00 KLK5 (0.72) KLK5CTSSCTSKCTSBCTSL
SCHEMBL6292728 1.00 KLK5 (0.72) KLK5CTSSCTSKCTSBCTSL
SCHEMBL20030598 0.95 CTSS (0.68) KLK5CTSSCTSKCTSBCTSL
SCHEMBL17138017 0.95 CTSS (0.68) KLK5CTSSCTSKCTSBCTSL
SCHEMBL27507036 0.95 CTSS (0.68) KLK5CTSSCTSKCTSBCTSL
SCHEMBL7896684 0.95 KLK5 (0.67) KLK5CTSSCTSKCTSBCTSL
SCHEMBL30135036 0.95 CTSS (0.68) KLK5CTSSCTSKCTSBCTSL
SCHEMBL17138015 0.95 CTSS (0.68) KLK5CTSSCTSKCTSBCTSL
SCHEMBL6051752 0.95 CTSS (0.68) KLK5CTSSCTSKCTSBCTSL

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-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES ENB THERAPEUTICS, INC. 2019-10-17 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-20190314444-A1 ETBR ANTAGONIST COMPOUNDS, COMPOSITIONS, AND USES EDNRB, EDNRA, LTB4R KLK5 495/4885CTSS 1179/4885CTSK 1203/4885

“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.