SCHEMBL4776557

SCHEMBL4776557

CS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccc(C(C(N)=O)c2ccc(C(F)(F)F)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.44
POLB P06746 1/20 0.41
MCOLN3 Q8TDD5 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR1 P21554 1/20 0.36

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
SCHEMBL4772351 0.87 P2RX7 (0.43) P2RX7GAA
SCHEMBL4831822 0.87 GAA (0.47) P2RX7ALDH1A1GAAMAPTCNR1
SCHEMBL4772423 0.86 P2RX7 (0.41) P2RX7ALDH1A1GAA
SCHEMBL4776875 0.86 P2RX7 (0.38) P2RX7ALDH1A1GAALMNA
SCHEMBL4827914 0.84 LMNA (0.41) P2RX7ALDH1A1GAAHTTKDM4E
SCHEMBL4775080 0.83 P2RX7 (0.39) P2RX7ALDH1A1GAAKDM4ELMNA
SCHEMBL4770849 0.83 ALDH1A1 (0.39) P2RX7POLBALDH1A1GAALMNA
SCHEMBL5571608 0.83 P2RX7 (0.42) P2RX7GAACNR1
SCHEMBL4775019 0.82 P2RX7 (0.41) P2RX7GAAKDM4EMAPTCNR1
SCHEMBL4777514 0.82 P2RX7 (0.42) P2RX7GAAKDM4ELMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP claimed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US claimed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 WO claimed
EP-1942888-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-07-16 EP disclosed
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US disclosed
WO-2007056078-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-18 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-20070135435-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 P2RX7 4514/4885POLB 292/4885MCOLN3 1462/4885

“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.