SCHEMBL2374058

SCHEMBL2374058

COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NCc1ccc(-c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPID Q08752 1/20 0.44
CYP17A1 P05093 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ROCK2 O75116 4/20 0.36
ROCK1 Q13464 4/20 0.36
PRKACA P17612 2/20 0.36
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
PRKX P51817 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
AKT1 P31749 2/20 0.36
RPS6KA5 O75582 1/20 0.36
MAP4K4 O95819 1/20 0.36
PRKCG P05129 1/20 0.36
RPS6KB1 P23443 1/20 0.36
MAPK1 P28482 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
SCHEMBL2374062 1.00 PPID (0.44) PPIDCYP17A1POLBTSHRADRB2
SCHEMBL15579459 0.84 ATM (0.46) POLBADRB2ADRB1ADRB3CYP2C9
SCHEMBL2373970 0.84 EPHX1 (0.39) DYRK1AMMP13CYP2D6SIRT2
SCHEMBL2373976 0.84 EPHX1 (0.39) DYRK1AMMP13CYP2D6SIRT2
SCHEMBL2374570 0.80 PPID (0.48) PPIDPOLBTSHRROCK2ROCK1
SCHEMBL2374561 0.80 PPID (0.48) PPIDPOLBTSHRROCK2ROCK1
SCHEMBL1616309 0.77 ALDH1A1 (0.46) POLBTSHRADRB2ADRB1ADRB3
SCHEMBL1279277 0.76 POLB (0.41) POLBMMP13SIRT2
SCHEMBL1279278 0.76 POLB (0.41) POLBMMP13SIRT2
SCHEMBL2376148 0.74 PPID (0.41) PPIDPOLBTSHRROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-15 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-20110224210-A1 NOVEL BIS-AMIDES AS ANTI-MALARIAL AGENTS CTSA, BECN1, HDAC6 PPID 654/4885CYP17A1 4754/4885POLB 1882/4885

“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.