SCHEMBL1931035

SCHEMBL1931035

CCCC[C@@H](Cc1ccc(Cl)c(N)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.51
PTGES O14684 4/20 0.51
ALOX5 P09917 4/20 0.51
PPARA Q07869 4/20 0.43
CA2 P00918 1/20 0.42
MAPK1 P28482 1/20 0.42
FOLH1 Q04609 4/20 0.42
PPARD Q03181 2/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1932747 1.00 PPARG (0.51) PPARGPTGESALOX5PPARACA2
SCHEMBL15709565 0.86 PPARG (0.48) PPARGPPARAPPARDLMNASMN1; SMN2
SCHEMBL15709546 0.86 PPARG (0.48) PPARGPPARAPPARDLMNASMN1; SMN2
SCHEMBL1930862 0.86 PPARG (0.48) PPARGPPARAPPARDLMNASMN1; SMN2
SCHEMBL1903254 0.81 PPARG (0.48) PPARGPTGESALOX5PPARACA2
SCHEMBL9658104 0.80 FOLH1 (0.51) PPARGPTGESALOX5PPARACA2
SCHEMBL12076568 0.78 ALDH1A1 (0.40) CA2MAPK1LMNASMN1; SMN2
SCHEMBL11840819 0.78 PPARG (0.56) PPARGPTGESALOX5PPARAFOLH1
SCHEMBL15709525 0.77 KDM4E (0.49) PPARACA2MAPK1PPARDLMNA
SCHEMBL1905898 0.77 KDM4E (0.49) PPARACA2MAPK1PPARDLMNA

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-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 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-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH PPARG 15/4885PTGES 439/4885ALOX5 452/4885

“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.