SCHEMBL4773370

SCHEMBL4773370

Cc1ncccc1CN(c1ccc(C(C(N)=O)c2ccc(C(F)(F)F)nc2)cc1)S(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
GAA P10253 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
AGTR1 P30556 1/20 0.37
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
PTK2 Q05397 2/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
P2RX7 Q99572 2/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL4771252 0.90 ALDH1A1 (0.47) ALDH1A1GAALMNAAGTR1MAPT
SCHEMBL4768267 0.88 TRPM8 (0.40) ALDH1A1GAASMN1; SMN2MAPTMEN1
SCHEMBL4776639 0.88 ALDH1A1 (0.40) ALDH1A1GAALMNAMAPTTP53
SCHEMBL4831822 0.87 GAA (0.47) ALDH1A1GAAMAPTTP53P2RX7
SCHEMBL4772423 0.87 P2RX7 (0.41) ALDH1A1GAAP2RX7
SCHEMBL4770849 0.87 ALDH1A1 (0.39) ALDH1A1GAALMNAMAPTTP53
SCHEMBL4776875 0.86 P2RX7 (0.38) ALDH1A1GAALMNAP2RX7
SCHEMBL4773000 0.86 TRPM8 (0.42) ALDH1A1GAALMNAMEN1KMT2A
SCHEMBL4772351 0.86 P2RX7 (0.43) GAAP2RX7
SCHEMBL4768213 0.85 TRPM8 (0.37) ALDH1A1GAAMAPTMEN1KMT2A

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 ALDH1A1 2159/4885GAA 466/4885LMNA 1022/4885

“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.