SCHEMBL4537467

SCHEMBL4537467

COCCCN1CCOc2ccc(CO[C@@H]3C[C@H](COS(=O)(=O)c4ccc(C)cc4)CN(C(=O)O)C3c3ccc(OC)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.33
THRB P10828 2/20 0.33
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.32
TP53 P04637 1/20 0.32
REN P00797 1/20 0.32

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
SCHEMBL3908996 0.85 THRB (0.35) RORCTHRBMAPTALDH1A1CYP3A4
SCHEMBL4537452 0.83 THRB (0.35) RORCTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL1038940 0.82 RORC (0.32) RORCTHRBMAPTALDH1A1CYP3A4
SCHEMBL1038944 0.81 TDP1 (0.33) RORCTHRBMAPTALDH1A1CYP3A4
SCHEMBL1040374 0.81 MMP9 (0.36) THRBMAPTALDH1A1CYP3A4CYP2D6
SCHEMBL3906126 0.80 RORC (0.34) RORCCYP2C9KMT2AREN
SCHEMBL3915719 0.80 PKM (0.39) MAPTALDH1A1CYP3A4CYP2C19CYP2C9
SCHEMBL3907440 0.79 PKM (0.38) ALDH1A1CYP2C9KMT2ALMNATP53
SCHEMBL2915001 0.79 FKBP1A (0.38) RORCMAPTALDH1A1CYP2C9KMT2A
SCHEMBL2922725 0.78 KMT2A (0.36) RORCMAPTALDH1A1CYP2C9KMT2A

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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 RORC 4614/4885THRB 2871/4885MAPT 4794/4885

“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.