SCHEMBL3961372

SCHEMBL3961372

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
MAPT P10636 4/20 0.46
TP53 P04637 4/20 0.46
THRB P10828 2/20 0.46
TRPM8 Q7Z2W7 3/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL3956893 0.97 TP53 (0.50) FFAR1MAPTTP53THRBTRPM8
SCHEMBL3963639 0.96 TRPM8 (0.51) FFAR1MAPTTP53THRBTRPM8
SCHEMBL3960806 0.93 MEN1 (0.46) FFAR1MAPTTP53THRBTRPM8
SCHEMBL3963786 0.87 FFAR1 (0.49) FFAR1MAPTTP53THRBTRPM8
SCHEMBL3963025 0.86 TRPM8 (0.63) TRPM8LMNAALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL3964677 0.84 TRPM8 (0.49) MAPTTP53TRPM8SMN1; SMN2
SCHEMBL3959697 0.83 TRPM8 (0.48) MAPTTP53THRBTRPM8ALDH1A1
SCHEMBL3963570 0.83 TRPM8 (0.52) FFAR1TRPM8
SCHEMBL3960796 0.81 TRPM8 (0.48) TRPM8LMNAALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL3959641 0.81 TRPM8 (0.46) TRPM8LMNAALDH1A1SMN1; SMN2

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 2 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

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-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP FFAR1 106/4885MAPT 4345/4885TP53 4725/4885

“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.