SCHEMBL4644380

SCHEMBL4644380

CCOC(=O)C(CCC=NNc1ccc(F)cc1F)(NC(C)=O)C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 3/20 0.44
MAPT P10636 7/20 0.43
ALDH1A1 P00352 4/20 0.42
RECQL P46063 1/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.40
GAA P10253 4/20 0.40
NPC1 O15118 3/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL4644373 1.00 PKM (0.45) PKMTHRBHTTMAPTALDH1A1
SCHEMBL4644388 0.82 RAB9A (0.38) PKMHTTMAPTALDH1A1MEN1
SCHEMBL11575261 0.78 ALDH1A1 (0.56) PKMTHRBHTTMAPTALDH1A1
SCHEMBL5885966 0.69 PKM (0.55) PKMTHRBHTTMAPTALDH1A1
SCHEMBL2768155 0.69 MAPT (0.52) PKMHTTMAPTALDH1A1MEN1
SCHEMBL19332557 0.69 MAPT (0.52) PKMHTTMAPTALDH1A1MEN1
SCHEMBL7727868 0.69 PKM (0.70) PKMTHRBHTTMAPTALDH1A1
SCHEMBL8397322 0.68 ALDH1A1 (0.46) PKMTHRBHTTMAPTALDH1A1
SCHEMBL9119274 0.68 ALDH1A1 (0.52) PKMTHRBHTTMAPTALDH1A1
SCHEMBL7800755 0.68 ALDH1A1 (0.45) PKMTHRBHTTMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 PKM 3876/4885THRB 290/4885HTT 358/4885

“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.