SCHEMBL1542780

SCHEMBL1542780

COc1ccc(F)c(F)c1-c1ccc(OCc2cccc(C(=O)N(C)CC(=O)O)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 14/20 0.74
MRGPRX4 Q96LA9 3/20 0.48
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
FFAR1 O14842 3/20 0.46
PPARD Q03181 3/20 0.46

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
SCHEMBL1756438 0.85 GYS1 (1.00) GYS1
SCHEMBL1756390 0.81 GYS1 (0.82) GYS1MRGPRX4RAB9ASMN1; SMN2
SCHEMBL1756426 0.79 GYS1 (0.79) GYS1MRGPRX4
SCHEMBL1756363 0.79 GYS1 (0.81) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL1756451 0.79 GYS1 (0.69) GYS1MRGPRX4FFAR1PPARD
SCHEMBL1756400 0.76 GYS1 (0.68) GYS1MRGPRX4RAB9ASMN1; SMN2FFAR1
SCHEMBL1762313 0.75 GYS1 (0.80) GYS1RAB9ASMN1; SMN2
SCHEMBL1756384 0.74 GYS1 (0.79) GYS1
SCHEMBL1756459 0.73 GYS1 (0.75) GYS1
SCHEMBL14933712 0.71 GYS1 (1.00) GYS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307372-B1 HETEROCYCLIC ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2012-04-25 EP claimed
EP-2307372-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2011-04-13 EP claimed
WO-2010010017-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-01-28 WO claimed
US-20100021423-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2010-01-28 US claimed

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-20100021423-A1 Heterocyclic antiviral compounds POLR2A, RRM2B, RRP1B GYS1 3603/4885MRGPRX4 2212/4885TP53 1313/4885

“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.