SCHEMBL5235449

SCHEMBL5235449

CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](C(O)c2ncn3ccsc23)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CCR5 P51681 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7007006 1.00 ALDH1A1 (0.32) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL6754271 0.84 ALDH1A1 (0.33) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL5236422 0.84 ALDH1A1 (0.33) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL7888777 0.82
SCHEMBL5230213 0.81 PREP (0.37) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL9518867 0.76 ALDH1A1 (0.34) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL9019973 0.76 MAPT (0.37) ALDH1A1MAPTHPGDCCR5NPC1
SCHEMBL7804783 0.76 ALDH1A1 (0.38) ALDH1A1MAPTHPGDCCR5TDP1
SCHEMBL5233422 0.75 ALDH1A1 (0.40) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL9366344 0.75 ALDH1A1 (0.40) ALDH1A1MAPTHPGDCCR5RAB9A

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
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
US-6908913-B2 Carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2005-06-21 US disclosed
US-20040038967-A1 Novel carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2004-02-26 US disclosed
EP-1336612-A1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2003-08-20 EP 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-20040038967-A1 Novel carbapenem derivatives DHPS, HAMP, MCRS1 ALDH1A1 1076/4885MAPT 4499/4885HPGD 611/4885

“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.