SCHEMBL2280446

SCHEMBL2280446

C[C@H](C(=O)O)N(c1ccc(Cl)cc1)S(C)(=O)=O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
MAPK1 P28482 1/20 0.51
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL7462661 0.84 POLB (0.57) HTTMAPK1CYP3A4CYP2D6CYP2C9
SCHEMBL2278952 0.83 MAPK1 (0.54) HTTMAPK1CYP3A4CYP2D6CYP2C9
SCHEMBL6325501 0.82 HSD11B1 (0.47) HTTMAPK1ALDH1A1TP53MAPT
SCHEMBL4059596 0.77 MMP2 (0.47) HTTMAPK1CYP3A4CYP2D6CYP2C9
SCHEMBL7402365 0.75 ALDH1A1 (0.43) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL7801107 0.75 ALDH1A1 (0.43) HTTCYP2C9CYP2C19ALDH1A1TSHR
SCHEMBL6531075 0.72 LMNA (0.40) HTTCYP2C9CYP2C19NPSR1ALDH1A1
Maleic Acid SCHEMBL16649793 0.72 CHRNB2 (0.40) HTTMAPK1CYP2C9CYP2C19NPSR1
Fumaric Acid SCHEMBL16649794 0.72 CHRNB2 (0.40) HTTMAPK1CYP2C9CYP2C19NPSR1
SCHEMBL7470800 0.71 POLB (0.58) HTTMAPK1CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989634-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-08-02 US disclosed
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
US-20070129346-A1 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2007-06-07 US disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed
WO-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 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-20070129346-A1 Melanocortin receptor agonists MC1R, MC3R, MC5R HTT 1199/4885MAPK1 736/4885CYP3A4 1804/4885

“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.