SCHEMBL369771

SCHEMBL369771

Cc1cc(Cl)ccc1C(CC(=O)c1ccc(=O)n(C)c1)c1ccc(Oc2ccc(F)c(C(=O)O)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 3/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
PTGER4 P35408 2/20 0.35
PTGER2 P43116 2/20 0.35
POLB P06746 2/20 0.35
FFAR1 O14842 4/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
SERPINE1 P05121 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32

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
SCHEMBL369275 0.93 P2RX3 (0.39) P2RX3PTGER4PTGER2POLBFFAR1
SCHEMBL368539 0.92 FFAR1 (0.37) P2RX3ADRB1ADRB3POLBFFAR1
SCHEMBL364646 0.90 P2RX3 (0.37) P2RX3ADRB1ADRB3PTGER4PTGER2
SCHEMBL364647 0.90 P2RX3 (0.37) P2RX3ADRB1ADRB3PTGER4PTGER2
SCHEMBL371041 0.87 FFAR1 (0.37) PTGER4PTGER2POLBFFAR1
SCHEMBL368992 0.87 CREBBP (0.41) P2RX3ADRB1ADRB3POLB
SCHEMBL368967 0.86 BAZ2B (0.40) POLBFFAR1FNTAFNTB
SCHEMBL369581 0.85 POLB (0.40) PTGER4POLBFFAR1MGAMGAA
SCHEMBL368801 0.84 P2RX3 (0.42) P2RX3FFAR1FNTAFNTB
SCHEMBL1389755 0.83 GPBAR1 (0.36) P2RX3ADRB1ADRB3FFAR1FNTA

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-2593426-B1 1-HYDROXYIMINO-3-PHENYL-PROPANES HOFFMANN LA ROCHE (CH) 2014-08-20 EP disclosed
US-8765730-B2 1-hydroxyimino-3-phenyl-propanes Hoffmann-La Roche Inc (US) 2014-07-01 US disclosed
EP-2593426-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007365-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed
US-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES F. HOFFMANN-LA ROCHE AG (CH) 2012-01-12 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-20120010190-A1 1-HYDROXYIMINO-3-PHENYL-PROPANES GPBAR1, GPR119, ADRB1 P2RX3 195/4885ADRB1 3/4885ADRB3 15/4885

“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.