SCHEMBL5404692

SCHEMBL5404692

CC(C)CC(CC(=O)O)NC(=O)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.51
CASR P41180 1/20 0.49
ROCK2 O75116 2/20 0.48
ROCK1 Q13464 2/20 0.48
TAAR1 Q96RJ0 1/20 0.48
PTPN1 P18031 1/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MAPT P10636 1/20 0.46
DGAT1 O75907 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5404682 1.00 FPR2 (0.51) FPR2CASRROCK2ROCK1TAAR1
SCHEMBL14822987 0.86 PKM (0.54) CASRROCK2ROCK1TAAR1PTPN1
SCHEMBL5401004 0.86 MAPK1 (0.60) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL5401012 0.86 MAPK1 (0.60) ALDH1A1LMNANPC1HTTRAB9A
SCHEMBL13409936 0.83 ROCK2 (0.47) FPR2CASRROCK2ROCK1TAAR1
SCHEMBL2317343 0.82 ROCK2 (0.65) FPR2ROCK2ROCK1
SCHEMBL2312556 0.82 ROCK2 (0.65) FPR2ROCK2ROCK1
SCHEMBL5416216 0.82 CTSB (0.43) TAAR1PTPN1ALDH1A1LMNANPC1
SCHEMBL5404149 0.81 ADAMTS4 (0.56) CASRROCK2ROCK1TAAR1PTPN1
SCHEMBL5404142 0.81 ADAMTS4 (0.56) CASRROCK2ROCK1TAAR1PTPN1

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-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
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 WO 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
WO-2005044810-A1 GLYT2 MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-05-19 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-20050119245-A1 GlyT2 modulators GLRB, GLRA1, GLRA2 FPR2 3048/4885CASR 1408/4885ROCK2 3542/4885

“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.