SCHEMBL2175536

SCHEMBL2175536

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(C[C@H](OCC)C(=O)OC)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGAV P06756 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
HDAC1 Q13547 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
MMEL1 Q495T6 1/20 0.36

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
SCHEMBL2175533 1.00 PTGS2 (0.40) PTGS2ITGB3ITGAVLTB4R2HDAC1
SCHEMBL2174734 0.94 PTGS2 (0.40) PTGS2ITGB3ITGAVLTB4R2HDAC1
SCHEMBL2173206 0.93 PPARA (0.45) PTGS2ITGB3ITGAVPPARGPPARA
SCHEMBL2173202 0.93 PPARA (0.45) PTGS2ITGB3ITGAVPPARGPPARA
SCHEMBL2174476 0.93 PPARA (0.45) PTGS2ITGB3ITGAVPPARGPPARA
SCHEMBL2172772 0.92 PPARA (0.46) PTGS2LTB4R2PPARGPPARA
SCHEMBL2172731 0.92 PPARA (0.46) PTGS2LTB4R2PPARGPPARA
SCHEMBL2172727 0.92 PPARA (0.46) PTGS2LTB4R2PPARGPPARA
SCHEMBL2174613 0.91 ITGB3 (0.42) PTGS2ITGB3ITGAVLTB4R2HDAC1
SCHEMBL4376742 0.91 PTGS2 (0.39) PTGS2ITGB3ITGAVLTB4R2HDAC1

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-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US claimed
US-20100035988-A1 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-02-11 US claimed
US-7626054-B2 Biaromatic compounds which activate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US claimed
US-20070112070-A1 Novel biaromatic compounds which activate PPARy-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-17 US claimed
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed
US-20100035988-A1 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-02-11 US disclosed
US-7626054-B2 Biaromatic compounds which activate PPARγ-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-12-01 US disclosed
US-20070112070-A1 Novel biaromatic compounds which activate PPARy-type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-05-17 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-20070112070-A1 Novel biaromatic compounds which activate PPARy-type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA PTGS2 925/4885ITGB3 4212/4885ITGAV 3850/4885
US-20100035988-A1 Methods for activating PPAR gamma-type receptors PPARG, PPARA, PPARD PTGS2 452/4885ITGB3 3192/4885ITGAV 2597/4885

“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.