SCHEMBL13391981

SCHEMBL13391981

CC(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
ALOX15 P16050 1/20 0.60
CTSL P07711 7/20 0.55
CTSK P43235 5/20 0.55
CTSB P07858 4/20 0.55
CTSS P25774 4/20 0.55
TACR1 P25103 2/20 0.53
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
CASP1 P29466 1/20 0.50

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
SCHEMBL5929949 0.90 ALDH1A1 (0.60) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL3303033 0.90 ITGB3 (0.56) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL8785267 0.88 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL8785257 0.88 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL7285798 0.88 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL5859423 0.84 CTSL (0.56) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL12952246 0.83 CTSL (0.69) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL14338213 0.83 ALDH1A1 (0.67) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL22758566 0.83 ALDH1A1 (0.67) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL14338217 0.82 ALDH1A1 (0.66) ALDH1A1ALOX15CTSLCTSKCTSB

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-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides ELAN PHARMACEUTICALS, INC. 2010-04-22 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-20100099898-A1 Processes and Intermediates For Preparing Benzyle Epoxides VKORC1, EPOR, POR ALDH1A1 1965/4885ALOX15 863/4885CTSL 1879/4885

“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.