SCHEMBL6754271

SCHEMBL6754271

CC(C)(C)[Si](C)(C)OC1CC(C(=O)c2ncn3ccsc23)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
CCR5 P51681 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
MCL1 Q07820 5/20 0.31
BCL2 P10415 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
LMNA P02545 1/20 0.30
MAOB P27338 1/20 0.30
L3MBTL1 Q9Y468 2/20 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
SCHEMBL5236422 1.00 ALDH1A1 (0.33) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL5229323 0.87 ALDH1A1 (0.32) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL5233019 0.85 POLB (0.36) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL7007006 0.84 ALDH1A1 (0.32) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL5235449 0.84 ALDH1A1 (0.32) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL5232065 0.83 MCL1 (0.30) MCL1L3MBTL1
SCHEMBL5233372 0.81 PREP (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL6403333 0.80 RAB9A (0.42) ALDH1A1MAPTHPGDCCR5RAB9A
SCHEMBL9520614 0.80 MMP2 (0.43) ALDH1A1MAPTHPGDCCR5MCL1
SCHEMBL9520648 0.79 ALDH1A1 (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040038967-A1 Novel carbapenem derivatives MEIJI SEIKI KAISHA, LTD. (JP) 2004-02-26 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-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.