SCHEMBL3964005

SCHEMBL3964005

CCCCN(Cc1ccc(C(F)(F)F)cc1)C(=O)COc1ccc(C(CC)[C@H](OCC)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
PPARG P37231 2/20 0.45
TRPM8 Q7Z2W7 2/20 0.43
LTB4R2 Q9NPC1 1/20 0.42
PSMB5 P28074 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PPARD Q03181 2/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
USP2 O75604 1/20 0.37

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
SCHEMBL3963786 0.93 FFAR1 (0.49) FFAR1PPARGTRPM8PSMB5MEN1
SCHEMBL3963570 0.91 TRPM8 (0.52) FFAR1PPARGTRPM8PSMB5MEN1
SCHEMBL3960457 0.88 FFAR1 (0.49) FFAR1PPARGTRPM8LTB4R2PPARD
SCHEMBL3959641 0.87 TRPM8 (0.46) PPARGTRPM8PPARDUSP2HSD17B10
SCHEMBL3960796 0.85 TRPM8 (0.48) TRPM8LTB4R2MEN1KMT2AUSP2
SCHEMBL4898468 0.84 PPARA (0.52) PPARGTRPM8LTB4R2PPARDPPARA
SCHEMBL3959985 0.84 PPARA (0.52) PPARGTRPM8LTB4R2PPARDPPARA
SCHEMBL3964677 0.83 TRPM8 (0.49) TRPM8MEN1KMT2A
SCHEMBL3959697 0.82 TRPM8 (0.48) PPARGTRPM8PPARA
Tert-Butylamine SCHEMBL3962778 0.81 PPARA (0.49) PPARGTRPM8LTB4R2PPARDPPARA

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-20050131068-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-06-16 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-20050131068-A1 Therapeutic agents GPR119, INSR, LIPA FFAR1 30/4885PPARG 479/4885TRPM8 4238/4885
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.