SCHEMBL2419971

SCHEMBL2419971

C[C@@H](NC(N)=S)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
PTGS1 P23219 3/20 0.57
PTGS2 P35354 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
CXCR1 P25024 2/20 0.57
CXCR2 P25025 2/20 0.57
CYP3A4 P08684 2/20 0.57
RECQL P46063 1/20 0.57
KDM4E B2RXH2 1/20 0.57
HPGD P15428 1/20 0.57
MAPK1 P28482 1/20 0.57
PMP22 Q01453 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CXCL8 P10145 1/20 0.57
THPO P40225 1/20 0.57
HIF1A Q16665 1/20 0.57
CTSL P07711 1/20 0.50

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
SCHEMBL21056133 0.84 ALDH1A1 (0.62) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL2420009 0.84 ALDH1A1 (0.62) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL13653042 0.84 MAPT (0.62) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL4037544 0.79 MAPT (0.55) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL5530166 0.79 MAPT (0.55) MAPTALDH1A1LMNAKDM4EHPGD
SCHEMBL7040464 0.77 MAPT (0.76) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL31441027 0.77 PTGS1 (0.76) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL7488737 0.77 PTGS1 (0.76) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL1887586 0.77 MAPT (0.76) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2
SCHEMBL31318264 0.77 MAPT (0.76) MAPTALDH1A1PTGS1PTGS2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951663-B1 (R)-ARYLKYLAMINO DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ FARMACEUTICI S P A (IT) 2016-07-20 EP disclosed
CN-101360706-B (R) -arylalkylamino derivatives and pharmaceutical compositions thereof DOMPE PHA R MA SPA RES & MFG 2013-10-02 CN disclosed
US-8026367-B2 (R)-arylalkylamino derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2011-09-27 US disclosed
US-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them DOMPÉ FARMACEUTICI S.P.A. (IT) 2009-05-14 US disclosed
CN-101360706-A (R) -arylalkylamino derivatives and pharmaceutical compositions thereof DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-04 CN 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-20090124664-A1 (R)-Arylalkylamino Derivatives and Pharmaceutical Compositions Containing Them C3AR1, C5AR1, CCR8 MAPT 4364/4885ALDH1A1 907/4885PTGS1 260/4885

“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.