SCHEMBL4490740

SCHEMBL4490740

CCCc1cc(C(=O)O)cc(-c2ccc(F)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.51
BAD Q92934 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
PPARA Q07869 1/20 0.48
LTB4R2 Q9NPC1 2/20 0.47
RARB P10826 9/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 2/20 0.44
RARA P10276 2/20 0.44
BCL2 P10415 1/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
MTOR P42345 1/20 0.44
KMT2A Q03164 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4500670 0.84 KDM4E (0.46) RXRARXRBALDH1A1MEN1MAPT
SCHEMBL3475708 0.80 BCL2L1 (0.72) BCL2L1BADRXRARXRBPPARA
SCHEMBL15157461 0.80 BCL2L1 (0.72) BCL2L1BADRXRARXRBPPARA
SCHEMBL7769260 0.78 RXRA (0.46) RXRARXRBRARBMCL1ALDH1A1
SCHEMBL1355567 0.78 ALDH1A1 (0.45) RXRARXRBRARBMCL1ALDH1A1
SCHEMBL4505786 0.76 BCL2L1 (0.60) BCL2L1BADRXRARXRBPPARA
SCHEMBL15164027 0.75 PPARA (0.48) BCL2L1BADRXRARXRBPPARA
SCHEMBL28069551 0.75 PTGS1 (0.50) BCL2L1BADPPARAALDH1A1NPC1
SCHEMBL2760861 0.74 DHODH (0.51) RXRARXRBRARBMCL1ALDH1A1
SCHEMBL18003127 0.74 NPC1 (0.37) MCL1ALDH1A1MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 BCL2L1 4151/4885BAD 3842/4885RXRA 595/4885

“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.