SCHEMBL5642801

SCHEMBL5642801

NC(=CC(=O)O)CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.63
FFAR1 O14842 5/20 0.50
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NR3C2 P08235 1/20 0.43
MAOB P27338 2/20 0.42
SRD5A2 P31213 1/20 0.42
IDO1 P14902 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
FFAR4 Q5NUL3 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
SCHEMBL5642790 1.00 PDPK1 (0.63) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5642798 1.00 PDPK1 (0.63) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5641735 0.82 FFAR1 (0.50) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5641729 0.82 FFAR1 (0.50) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL5641733 0.82 FFAR1 (0.50) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL2316007 0.80 TAAR1 (0.57) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL117230 0.78 FFAR1 (0.73) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL656936 0.78 PDPK1 (1.00) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL656937 0.78 PDPK1 (1.00) PDPK1FFAR1PLAAT3PLAAT5PLAAT2
SCHEMBL656935 0.78 PDPK1 (1.00) PDPK1FFAR1PLAAT3PLAAT5PLAAT2

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-7189851-B2 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION (US) 2007-03-13 US disclosed
US-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
WO-2003076440-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS CALCITONIN AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-18 WO 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-20050107419-A1 Condensed heterocyclic compounds as calcitonin agonists CALCRL, CALCR, CALCB PDPK1 3522/4885FFAR1 664/4885PLAAT3 1843/4885

“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.