SCHEMBL3963786

SCHEMBL3963786

CCO[C@H](C(=O)O)C(CC)c1ccc(OCC(=O)N(Cc2ccc(C(F)(F)F)cc2)Cc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
PPARG P37231 2/20 0.49
TRPM8 Q7Z2W7 2/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PSMB5 P28074 2/20 0.42
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
PPARD Q03181 2/20 0.41
MAOB P27338 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39

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
SCHEMBL3963570 0.96 TRPM8 (0.52) FFAR1PPARGTRPM8MEN1KMT2A
SCHEMBL3964005 0.93 FFAR1 (0.45) FFAR1PPARGTRPM8MEN1KMT2A
SCHEMBL3964677 0.87 TRPM8 (0.49) TRPM8MEN1KMT2ATP53MAPT
SCHEMBL3961372 0.87 FFAR1 (0.47) FFAR1TRPM8TP53MAPTTHRB
SCHEMBL3960806 0.87 MEN1 (0.46) FFAR1TRPM8MEN1KMT2ATP53
SCHEMBL3959697 0.87 TRPM8 (0.48) PPARGTRPM8TP53MAPTTHRB
SCHEMBL3956893 0.84 TP53 (0.50) FFAR1TRPM8TP53MAPTTHRB
SCHEMBL3963025 0.84 TRPM8 (0.63) TRPM8ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL3963639 0.83 TRPM8 (0.51) FFAR1TRPM8TP53MAPTTHRB
SCHEMBL3963050 0.82 PPARA (0.57) PPARGTRPM8PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 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-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG FFAR1 8/4885PPARG 3/4885TRPM8 2338/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP FFAR1 106/4885PPARG 228/4885TRPM8 4071/4885

“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.