SCHEMBL10024348

SCHEMBL10024348

Cc1cc(C[C@@H](O)C(=O)O)cc(C(F)(F)F)c1OC(=O)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.37
PPARA Q07869 3/20 0.37
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
TACR1 P25103 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TSHR P16473 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
SCHEMBL13408005 0.89 PPARG (0.42) PPARGPPARAMEN1HTTKMT2A
SCHEMBL14291346 0.85 RAB9A (0.39) MEN1HTTKMT2AGFERHSD17B10
SCHEMBL10024349 0.82 PPARG (0.35) PPARGPPARAFFAR4
SCHEMBL3095728 0.76 PPARG (0.46) PPARGPPARAMEN1KMT2AFFAR4
SCHEMBL3095738 0.76 PPARG (0.46) PPARGPPARAMEN1KMT2AFFAR4
SCHEMBL1610643 0.75 PPARG (0.45) PPARGPPARAMEN1KMT2AFFAR4
SCHEMBL19917508 0.72 ALDH1A1 (0.47) MEN1HTTKMT2AGFERHSD17B10
SCHEMBL3518571 0.71 KDM6B (0.39) PPARGPPARAFFAR1FFAR4KDM4E
SCHEMBL3518576 0.71 KDM6B (0.39) PPARGPPARAFFAR1FFAR4KDM4E
SCHEMBL2088199 0.71 PTGER4 (0.44) PPARGPPARAMEN1KMT2AFFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US disclosed
US-8119797-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-21 US disclosed
US-8084634-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-27 US disclosed
US-8084634-B2 Production method BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-27 US disclosed
US-20110295000-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20110295000-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-01 US disclosed
US-20100152439-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-17 US disclosed
US-20100152439-A1 PRODUCTION METHOD BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-17 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-20110295000-A1 PRODUCTION METHOD CYP2F1, CYP7A1, CYP1A1 PPARG 2179/4885PPARA 3347/4885MEN1 307/4885
US-20100152439-A1 PRODUCTION METHOD CYP2F1, CYP7A1, CYP1A1 PPARG 2179/4885PPARA 3347/4885MEN1 307/4885

“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.