SCHEMBL4963240

SCHEMBL4963240

CCCCN(Cc1ccc(C(F)(F)F)cc1F)C(=O)COc1ccc(CCOc2ccccc2C(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.44
PPARA Q07869 7/20 0.44
PPARG P37231 5/20 0.44
USP2 O75604 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
LPAR1 Q92633 4/20 0.41
PTGES O14684 2/20 0.41
ALOX5 P09917 2/20 0.41
LPAR3 Q9UBY5 1/20 0.41
RXRA P19793 2/20 0.41
NR1H2 P55055 2/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
PSEN1 P49768 1/20 0.40

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
SCHEMBL4963522 0.92 PPARG (0.43) PPARDPPARAPPARGUSP2HSD17B10
SCHEMBL4965190 0.86 HTR2A (0.43) USP2HSD17B10LPAR1LPAR3TP53
SCHEMBL4962776 0.81 TRPM8 (0.54) PPARDPPARAPPARGHSD17B10PTGES
SCHEMBL4964594 0.80 TRPM8 (0.48) LPAR1TP53MAPTLPAR5
SCHEMBL3960463 0.79 PPARD (0.44) PPARDPPARAPPARGUSP2HSD17B10
SCHEMBL3962831 0.79 PPARA (0.49) PPARDPPARAPPARGUSP2HSD17B10
SCHEMBL4964423 0.79 HTR2A (0.42) USP2HSD17B10TP53MAPT
SCHEMBL4961660 0.78 PPARG (0.45) PPARAPPARGLPAR1LPAR5
SCHEMBL3996205 0.77 PSMB5 (0.43) PPARDPPARALPAR1TP53MAPT
Tert-Butylamine SCHEMBL3963631 0.77 PPARA (0.47) PPARDPPARAPPARGUSP2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351858-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-01 US claimed
EP-1517679-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP claimed
US-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB, R&D HEADQUARTERS, GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2005-10-06 US claimed
US-7351858-B2 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB (SE) 2008-04-01 US disclosed
EP-1517679-B1 ORTHO-SUBSTITUTED BENZOIC ACID DERIVATIVES FOR THE TREATMENT OF INSULIN RESISTANCE ASTRAZENECA AB (SE) 2008-02-13 EP disclosed
US-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance ASTRAZENECA AB, R&D HEADQUARTERS, GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2005-10-06 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-20050222261-A1 Ortho-substituted benzoic acid derivatives for the treatment of insulin resistance INSR, GPR119, IRS1 PPARD 438/4885PPARA 347/4885PPARG 361/4885

“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.