SCHEMBL4066530

SCHEMBL4066530

Cc1sc(N2CCC(C(F)(F)F)CC2)nc1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.42
PPARG P37231 7/20 0.36
PPARD Q03181 7/20 0.36
PPARA Q07869 6/20 0.36
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DNM1L O00429 1/20 0.33
CHRM3 P20309 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TRPV3 Q8NET8 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL4057611 0.82 TRPV3 (0.36) PIN1PPARGPPARATP53SMN1; SMN2
SCHEMBL7914533 0.65 GAA (0.45) PPARGPPARASMN1; SMN2DNM1LNPC1
SCHEMBL855931 0.65 SLC6A3 (0.41) SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL5682706 0.64 CHRM3 (0.36) PIN1SMN1; SMN2CHRM3PDE4APDE4B
SCHEMBL4093001 0.63 GABRR1 (0.39) SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL13366293 0.63 CHRM3 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL341456 0.62 GABRR1 (0.42) SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL9865321 0.62 GABRR1 (0.38) SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL1417449 0.62 NOS1 (0.43) SMN1; SMN2NPC1RAB9APTGDR2
SCHEMBL9865312 0.62 GABRR1 (0.38) SMN1; SMN2NPC1RAB9APTGDR2

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-7560475-B2 Phenylacetic acid derivative, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2009-07-14 US disclosed
US-20070105868-A1 Phenylacetic acid derivative, process for producing the same, and use ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 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-20070105868-A1 Phenylacetic acid derivative, process for producing the same, and use PPARA, PPARD, PPARG PIN1 3544/4885PPARG 3/4885PPARD 2/4885

“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.