SCHEMBL5032040

SCHEMBL5032040

O=C(N[C@H]1CCCCC1C(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 4/20 0.52
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MMP2 P08253 1/20 0.50
MMP7 P09237 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.48
CCR1 P32246 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MCOLN2 Q8IZK6 1/20 0.47
MCOLN1 Q9GZU1 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CGAS Q8N884 1/20 0.46
F10 P00742 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
SCHEMBL1727942 1.00 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1756678 1.00 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL8803719 1.00 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL603555 1.00 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL607580 1.00 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1756674 1.00 SSTR3 (0.52) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL1757228 0.97 MMP2 (0.54) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL16489793 0.97 MMP2 (0.54) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL5392135 0.91 RAB9A (0.62) SSTR3NPC1RAB9AMMP2MMP7
SCHEMBL775118 0.89 SSTR3 (0.61) SSTR3NPC1RAB9AMMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
JP-7258215-A None JP disclosed
US-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO., LTD. 2007-01-04 US disclosed
US-7144901-B2 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ONO PHARMACEUTICAL CO.,LTD. (JP) 2006-12-05 US disclosed
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ONO PHARMACEUTICAL CO., LTD. (JP) 2003-09-04 US disclosed
EP-1234820-A1 OXADIAZOLE DERIVATIVES AND DRUGS CONTAINING THESE DERIVATIVES AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-08-28 EP disclosed
JP-H07258215-A PRODUCTION OF OPTICALLY ACTIVE 1-(4-CHLOROPYRIDIN-2-YL)-2-(PYRIDIN-2-YL)ETHYLAMINE EISAI CO LTD 1995-10-09 JP 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 (2 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-20070004642-A1 Oxadiazole derivatives and drugs containing these derivatives as the active ingredient ACIN1, CYCS, CASP7 SSTR3 2765/4885NPC1 2924/4885RAB9A 2162/4885
US-20030166573-A1 Such as (2S)-N-((2S)-4-methyl-1-(5-(1-methylethylthio)1,3,4-oxadiazol-2-yl)-1-oxo-2 -pentyl)-2-benzyloxycarbonylamino-4-methylpentanamide for inhibition of cysteine proteases; antiinflammatory agents ACIN1, CASP7, ASNS SSTR3 4196/4885NPC1 2499/4885RAB9A 2685/4885

“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.