SCHEMBL8106977

SCHEMBL8106977

CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
ALOX15 P16050 1/20 0.63
CAPN1 P07384 2/20 0.62
CTSL P07711 4/20 0.61
CTSK P43235 2/20 0.61
CTSB P07858 2/20 0.61
CTSS P25774 1/20 0.61
THRB P10828 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TACR1 P25103 2/20 0.59
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
KYNU Q16719 1/20 0.56

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
SCHEMBL13287085 1.00 ALDH1A1 (0.63) ALDH1A1ALOX15CAPN1CTSLCTSK
SCHEMBL9545976 0.94 CTSL (0.69) ALDH1A1ALOX15CAPN1CTSLCTSK
SCHEMBL8100468 0.91 CTSL (0.62) ALDH1A1ALOX15CAPN1CTSLCTSK
SCHEMBL13287011 0.91 CTSL (0.62) ALDH1A1ALOX15CAPN1CTSLCTSK
SCHEMBL7151822 0.91 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL329686 0.91 ALDH1A1 (0.74) ALDH1A1ALOX15CTSLCTSKCTSB
Hydrochloric Acid SCHEMBL7928050 0.90 ALDH1A1 (0.72) ALDH1A1ALOX15CTSLCTSKCTSB
SCHEMBL9301372 0.89 ALDH1A1 (0.62) ALDH1A1ALOX15CAPN1CTSLCTSK
SCHEMBL9402445 0.89 ALDH1A1 (0.62) ALDH1A1ALOX15CAPN1CTSLCTSK
SCHEMBL240653 0.89 ALDH1A1 (0.62) ALDH1A1ALOX15CAPN1CTSLCTSK

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-8080545-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 US disclosed
US-7691852-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2010-04-06 US disclosed
US-20070293465-A1 Compounds for enzyme inhibition PROTEOLIX, INC. (US) 2007-12-20 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 (2 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-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CAPN1 392/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 ALDH1A1 1307/4885ALOX15 1698/4885CAPN1 392/4885

“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.