SCHEMBL4776639

SCHEMBL4776639

Cc1cccc(CN(c2ccc(C(C(N)=O)c3ccc(C(F)(F)F)nc3)cc2)S(C)(=O)=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 2/20 0.35
P2RX7 Q99572 6/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HPGD P15428 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
TP53 P04637 1/20 0.33
TRPA1 O75762 1/20 0.33
GAA P10253 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
SCHEMBL4776875 0.92 P2RX7 (0.38) ALDH1A1LMNARECQLP2RX7TRPV1
SCHEMBL4771252 0.92 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4770849 0.90 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4773370 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4772423 0.87 P2RX7 (0.41) ALDH1A1P2RX7GAA
SCHEMBL4770848 0.87 TRPA1 (0.40) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL4768267 0.86 TRPM8 (0.40) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL4773000 0.86 TRPM8 (0.42) ALDH1A1MEN1KMT2ALMNAP2RX7
SCHEMBL4772351 0.86 P2RX7 (0.43) P2RX7GAA
SCHEMBL4831822 0.86 GAA (0.47) ALDH1A1MAPTP2RX7TP53GAA

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
US-20070135435-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-14 US 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 ALDH1A1 2159/4885MEN1 1302/4885KMT2A 1501/4885

“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.