SCHEMBL20935258

SCHEMBL20935258

C#Cc1ccc2c(CCC(=O)O)c(C)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.54
APEX1 P27695 1/20 0.49
GPR17 Q13304 8/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
KLK6 Q92876 1/20 0.45
FFAR1 O14842 1/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TBXAS1 P24557 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43

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
SCHEMBL20935255 0.90 APEX1 (0.55) EGFRAPEX1PRSS1PRSS2PRSS3
SCHEMBL18509428 0.85 EGFR (0.72) EGFRAPEX1GPR17KDM4EALDH1A1
SCHEMBL20935027 0.81 EGFR (0.56) EGFRAPEX1GPR17KDM4EALDH1A1
SCHEMBL23226279 0.80 GPR17 (0.71) EGFRAPEX1GPR17
SCHEMBL19871264 0.79 PRSS1 (0.43) EGFRPRSS1PRSS2PRSS3KLK6
SCHEMBL20935034 0.77 EGFR (0.55) EGFRAPEX1GPR17KDM4EALDH1A1
SCHEMBL19872632 0.77 GPR17 (0.74) EGFRAPEX1GPR17KDM4EALDH1A1
SCHEMBL18509728 0.77 GPR17 (0.72) EGFRAPEX1GPR17KDM4EALDH1A1
SCHEMBL7369831 0.76 APEX1 (0.55) EGFRAPEX1FFAR1KDM4EALDH1A1
SCHEMBL20120069 0.76 EGFR (0.51) EGFRAPEX1GPR17KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550079-B2 Artificial self-sufficient cytochrome P450s UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2020-02-04 US disclosed
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2019-04-25 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 (2 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-10550079-B2 Artificial self-sufficient cytochrome P450s CYP4F2, CYP2F1, POR EGFR 2865/4885APEX1 1660/4885GPR17 3737/4885
US-20190119208-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, CYP2F1, POR EGFR 2865/4885APEX1 1660/4885GPR17 3737/4885

“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.