SCHEMBL3737218

SCHEMBL3737218

CC[C@@H](C)CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.44
NAAA Q02083 3/20 0.44
IL6ST P40189 1/20 0.42
IDH1 O75874 8/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ACE P12821 1/20 0.38
PPARG P37231 1/20 0.37

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
SCHEMBL4205626 1.00 PPARA (0.44) PPARANAAAIL6STIDH1FAAH
SCHEMBL7066044 1.00 PPARA (0.44) PPARANAAAIL6STIDH1FAAH
SCHEMBL4205621 1.00 PPARA (0.44) PPARANAAAIL6STIDH1FAAH
SCHEMBL4204054 0.91 PPARA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL4204056 0.91 PPARA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL4204060 0.91 PPARA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL7034652 0.89 NAAA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL7034658 0.89 NAAA (0.45) PPARANAAAIL6STIDH1FAAH
SCHEMBL1049822 0.89 NAAA (0.46) PPARANAAAIL6STIDH1FAAH
SCHEMBL2029159 0.89 NAAA (0.46) PPARANAAAIL6STIDH1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846903-B2 Acyl-urea derivatives and uses thereof YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-09-30 US disclosed
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2010-11-04 US disclosed
US-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN PFIZER INC 2009-10-01 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 (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-20090247743-A1 PREPARATION OF BETA-AMINO ACIDS HAVING AFFINITY FOR THE ALPHA-2-DELTA PROTEIN SCN2A, SCN1A, ORAI2 PPARA 2465/4885NAAA 1958/4885IL6ST 867/4885
US-20100280124-A1 ACYL-UREA DERIVATIVES AND USES THEREOF ABAT, HDAC6, ACAT1 PPARA 604/4885NAAA 4/4885IL6ST 4050/4885

“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.