SCHEMBL5404142

SCHEMBL5404142

CC(C)[C@@H](CC(=O)O)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS4 O75173 1/20 0.56
TAAR1 Q96RJ0 1/20 0.50
CASR P41180 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RORC P51449 1/20 0.47
SLC1A3 P43003 1/20 0.47
SLC1A2 P43004 1/20 0.47
SLC1A1 P43005 1/20 0.47
PTPN1 P18031 2/20 0.46
UTS2R Q9UKP6 1/20 0.46
ROCK2 O75116 4/20 0.46
ROCK1 Q13464 4/20 0.46
NPC1 O15118 1/20 0.45
MITF O75030 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTPN11 Q06124 1/20 0.45
EPHX2 P34913 1/20 0.44

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
SCHEMBL5404149 1.00 ADAMTS4 (0.56) ADAMTS4TAAR1CASRHSD17B10RORC
SCHEMBL5412230 0.85 MAPK1 (0.62) UTS2RNPC1ALDH1A1HTTRAB9A
SCHEMBL5412209 0.85 MAPK1 (0.62) UTS2RNPC1ALDH1A1HTTRAB9A
SCHEMBL5404692 0.81 FPR2 (0.51) TAAR1CASRHSD17B10RORCSLC1A3
SCHEMBL5404682 0.81 FPR2 (0.51) TAAR1CASRHSD17B10RORCSLC1A3
SCHEMBL14822987 0.80 PKM (0.54) TAAR1CASRHSD17B10RORCSLC1A3
SCHEMBL14519568 0.80 MCHR1 (0.46) ADAMTS4TAAR1CASRRORCSLC1A3
SCHEMBL8295599 0.80 MCHR1 (0.46) ADAMTS4TAAR1CASRRORCSLC1A3
SCHEMBL5409846 0.78 ROCK2 (0.64) CASRHSD17B10RORCSLC1A3SLC1A2
SCHEMBL14519469 0.77 HTR3A (0.56) NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US claimed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 US claimed
US-7202269-B2 GlyT2 modulators JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-10 US disclosed
US-20050119245-A1 GlyT2 modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-02 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 ADAMTS4 2046/4885TAAR1 707/4885CASR 1408/4885

“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.