SCHEMBL21715575

SCHEMBL21715575

COC(=O)c1ccc([C@H](CCCO)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.46
CYP4F2 P78329 1/20 0.45
POLB P06746 1/20 0.43
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
TSHR P16473 2/20 0.41
MAPT P10636 2/20 0.38
CYP2D6 P10635 1/20 0.38
CTSK P43235 4/20 0.38
CYP1A2 P05177 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ATM Q13315 1/20 0.37
CTSS P25774 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 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
SCHEMBL989453 0.87 RIPK1 (0.42) CYP4A11CYP4F2CYP3A4CYP2C9CYP2C19
SCHEMBL30109148 0.87 RIPK1 (0.42) CYP4A11CYP4F2CYP3A4CYP2C9CYP2C19
SCHEMBL21715585 0.86 FAAH (0.47) CTSKCTSSPPARGPPARA
SCHEMBL391263 0.85 P2RY2 (0.47) MAPTCTSKPPARGPPARA
SCHEMBL4714695 0.84 CTSK (0.51) MAPTCTSKATMCTSS
SCHEMBL21714668 0.84 CTSK (0.51) MAPTCTSKATMCTSS
SCHEMBL31269567 0.83 LOXL2 (0.45) CYP3A4CYP2C9CYP2C19TSHRMAPT
SCHEMBL30109275 0.83 LOXL2 (0.45) CYP3A4CYP2C9CYP2C19TSHRMAPT
SCHEMBL31269590 0.83 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19TSHRMAPT
SCHEMBL2793090 0.82 CYP2D6 (0.44) POLBCYP3A4CYP2C9CYP2C19TSHR

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-10836761-B2 Cinchonine-derived catalysts and methods of using same BRANDEIS UNIVERSITY (US) 2020-11-17 US disclosed
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME BRANDEIS UNIVERSITY (US) 2020-02-13 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-10836761-B2 Cinchonine-derived catalysts and methods of using same MCM2, MCM7, MCM5 CYP4A11 1016/4885CYP4F2 1329/4885POLB 57/4885
US-20200048243-A1 CINCHONINE-DERIVED CATALYSTS AND METHODS OF USING SAME MCM2, MCM7, MCM5 CYP4A11 1016/4885CYP4F2 1329/4885POLB 57/4885

“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.