SCHEMBL1709154

SCHEMBL1709154

C=C(C)C(O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.59
CTRB1 P17538 2/20 0.54
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 1/20 0.53
CTSB P07858 4/20 0.51
CTSL P07711 4/20 0.51
CTSS P25774 3/20 0.51
CTSK P43235 3/20 0.51
TACR1 P25103 2/20 0.49
ATM Q13315 1/20 0.48
CTSD P07339 1/20 0.47
SPPL2A Q8TCT8 1/20 0.46

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
SCHEMBL12052764 1.00 TRPM8 (0.59) TRPM8CTRB1ALDH1A1ALOX15CTSB
SCHEMBL1709148 1.00 TRPM8 (0.59) TRPM8CTRB1ALDH1A1ALOX15CTSB
SCHEMBL1701917 1.00 TRPM8 (0.59) TRPM8CTRB1ALDH1A1ALOX15CTSB
SCHEMBL17452286 1.00 TRPM8 (0.59) TRPM8CTRB1ALDH1A1ALOX15CTSB
SCHEMBL1701749 1.00 TRPM8 (0.59) TRPM8CTRB1ALDH1A1ALOX15CTSB
SCHEMBL8100463 0.87 CTSL (0.51) TRPM8CTRB1ALDH1A1ALOX15CTSB
SCHEMBL18257510 0.87 CTSK (0.56) TRPM8CTSBCTSLCTSSCTSK
SCHEMBL8276388 0.87 CTSK (0.56) TRPM8CTSBCTSLCTSSCTSK
SCHEMBL1701841 0.87 CTSL (0.51) TRPM8CTRB1ALDH1A1ALOX15CTSB
SCHEMBL8100330 0.87 CTSL (0.51) TRPM8CTRB1ALDH1A1ALOX15CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2012-04-12 US disclosed
US-8080576-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-8080545-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2011-12-20 US disclosed
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION ONYX THERAPEUTICS, INC. (US) 2010-06-10 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 (4 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-20120088762-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 TRPM8 3475/4885CTRB1 455/4885ALDH1A1 1307/4885
US-20070293465-A1 Compounds for enzyme inhibition PSME1, PSMB1, PSME3 TRPM8 3475/4885CTRB1 455/4885ALDH1A1 1307/4885
US-20100144648-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 TRPM8 3475/4885CTRB1 455/4885ALDH1A1 1307/4885
US-20100144649-A1 COMPOUNDS FOR ENZYME INHIBITION PSME1, PSMB1, PSME3 TRPM8 3475/4885CTRB1 455/4885ALDH1A1 1307/4885

“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.