SCHEMBL7042856

SCHEMBL7042856

O=C(OCc1ccc([N+](=O)[O-])cc1)ONCCS(=O)(=O)NCC(=O)c1ncn2ccsc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
HTR2A P28223 1/20 0.34
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
HTT P42858 1/20 0.30
GAA P10253 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL6887696 0.89 DPP8 (0.38) RAB9AALDH1A1MAPTL3MBTL1GAA
SCHEMBL7729879 0.83 RAB9A (0.35) RAB9AHTR2AALDH1A1MAPTL3MBTL1
SCHEMBL6887473 0.80 RAB9A (0.41) RAB9AALDH1A1MAPTL3MBTL1GAA
SCHEMBL6888050 0.70 DPP8 (0.35) ALDH1A1MAPTL3MBTL1GAA
SCHEMBL6893524 0.69 DPP8 (0.40) RAB9AALDH1A1MAPTL3MBTL1GAA
SCHEMBL6621231 0.69 L3MBTL1 (0.35) RAB9AALDH1A1MAPTL3MBTL1CYP19A1
SCHEMBL6772807 0.68 DPP8 (0.42) RAB9AALDH1A1MAPTL3MBTL1GAA
SCHEMBL5233372 0.67 PREP (0.41) RAB9AALDH1A1MAPTL3MBTL1
SCHEMBL6623459 0.66 DPP8 (0.44) RAB9AALDH1A1MAPTL3MBTL1HTT
SCHEMBL5233019 0.66 POLB (0.36) RAB9AALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149016-A1 Novel carbapenem derivatives KANO YUKO (JP) 2003-08-07 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-20030149016-A1 Novel carbapenem derivatives DPEP1, TMPRSS15, STK35 RAB9A 1538/4885HTR2A 4579/4885ALDH1A1 1161/4885

“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.