SCHEMBL20110762

SCHEMBL20110762

CCC(C(=O)NC)c1ccc(S(=O)(=O)CC)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 12/20 0.51
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
KCNH2 Q12809 2/20 0.45
RORA P35398 3/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL168108 0.81 PSIP1 (0.48) RORCALDH1A1GAA
SCHEMBL2049579 0.78 ALDH1A1 (0.66) CRHBPCRHR2ALDH1A1LMNAHTT
SCHEMBL23174362 0.73 PSIP1 (0.47) RORCKCNH2RORAALDH1A1GAA
SCHEMBL23174361 0.73 ESR1 (0.45) RORCKCNH2RORACA1CA2
SCHEMBL28247832 0.72 GAA (0.46) RORCKCNH2RORAALDH1A1CA1
SCHEMBL2656833 0.72 ALDH1A1 (0.44) CRHBPCRHR2ALDH1A1LMNAHTT
SCHEMBL23174343 0.72 ESR1 (0.44) RORCKCNH2CA1CA2GAA
SCHEMBL28113455 0.72 RORC (0.52) RORCCRHBPCRHR2KCNH2RORA
SCHEMBL15146926 0.72 HPGD (0.58) CRHBPCRHR2ALDH1A1LMNAHTT
SCHEMBL19987486 0.71 PSIP1 (0.52) RORCRORAALDH1A1GAA

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-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF Sanford Burnham Prebys Medical Discovery Institute 2018-05-03 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-20180118698-A1 APELIN RECEPTOR AGONISTS AND METHODS OF USE THEREOF APLNR, APMAP, EDNRA RORC 2141/4885CRHBP 395/4885CRHR2 139/4885

“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.