SCHEMBL3960798

SCHEMBL3960798

CCCCCCN(Cc1ccccc1)C(=O)COc1ccc(C[C@](CC)(OCC)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.49
CNR2 P34972 1/20 0.48
LPAR1 Q92633 2/20 0.44
LPAR2 Q9HBW0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CA12 O43570 5/20 0.43
CA1 P00915 5/20 0.43
CA2 P00918 5/20 0.43
CA4 P22748 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
USP2 O75604 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCHE P06276 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
SCHEMBL3959652 0.93 BCHE (0.49) TRPM8LPAR1LPAR2SMN1; SMN2ALDH1A1
SCHEMBL3967728 0.92 PPARG (0.45) TRPM8CA12CA1CA2CA4
SCHEMBL3963030 0.88 TRPM8 (0.64) TRPM8SMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL3964009 0.87 TRPM8 (0.47) TRPM8LTB4R2USP2HSD17B10
SCHEMBL3963118 0.85 PLA2G4A (0.44) USP2HSD17B10
SCHEMBL3961314 0.84 BCHE (0.47) LPAR1LPAR2NPC1USP2HSD17B10
SCHEMBL3965294 0.84 PPARA (0.46) TRPM8LTB4R2USP2HSD17B10
SCHEMBL3964923 0.84 PPARA (0.46) TRPM8LTB4R2USP2HSD17B10
SCHEMBL3963241 0.84 PPARA (0.46) TRPM8LTB4R2USP2HSD17B10
SCHEMBL3966551 0.83 NPSR1 (0.40) TRPM8CNR2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514471-B2 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor α (PPAR) ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) ASTRAZENECA AB (SE) 2005-08-04 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-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP TRPM8 4071/4885CNR2 2251/4885LPAR1 140/4885
US-20050171204-A1 Substituted phenylpropionic acid derivatives as agonists to human peroxisome proliferator-activated receptor alpha (ppar) PPARA, PPARD, PPARG TRPM8 2840/4885CNR2 436/4885LPAR1 127/4885

“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.