SCHEMBL3547965

SCHEMBL3547965

COC(=O)[C@@H](Cc1cc(C)c2[nH]nnc2c1)C(=O)OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.38
PPARG P37231 2/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
TACR1 P25103 2/20 0.36
CTSB P07858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ATM Q13315 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
POLB P06746 1/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL3547969 1.00 MMP8 (0.38) MMP8PPARGPPARDPPARATACR1
SCHEMBL137685 0.81 ACACB (0.48)
SCHEMBL137686 0.81 ACACB (0.48)
SCHEMBL3761588 0.80 L3MBTL1 (0.37) ALDH1A1MAPTHSD17B10ATMPOLB
SCHEMBL29770513 0.79 POLB (0.46) MMP8PPARGPPARDPPARATACR1
SCHEMBL27646044 0.79 POLB (0.46) MMP8PPARGPPARDPPARATACR1
SCHEMBL4593869 0.78 ATM (0.38) ALDH1A1HSD17B10ATMPOLB
SCHEMBL3587642 0.78 ATM (0.38) ALDH1A1HSD17B10ATMPOLB
SCHEMBL13030997 0.78 ALDH1A1 (0.38) ALDH1A1
Hydrochloric Acid SCHEMBL3551035 0.77 ALDH1A1 (0.40) ALDH1A1

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-7834007-B2 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2010-11-16 US disclosed
US-20070049577-A1 CGRP antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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-20070049577-A1 CGRP antagonists CALCRL, CALCR, CALCA MMP8 879/4885PPARG 920/4885PPARD 1376/4885

“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.