SCHEMBL5237188

SCHEMBL5237188

CCCC[Sn](CCCC)(CCCC)c1cn2c(SC)nc(C(=O)c3cccnc3)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 4/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAPT P10636 2/20 0.34
GAA P10253 1/20 0.33
NFKB1 P19838 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
CDK2 P24941 2/20 0.33
NPC1 O15118 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CCNE2 O96020 1/20 0.33

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
SCHEMBL5234739 0.87 L3MBTL1 (0.38) L3MBTL1LMNAHTTALDH1A1HDAC3
SCHEMBL5234665 0.86 L3MBTL1 (0.37) L3MBTL1LMNAHTTALDH1A1HDAC3
SCHEMBL5235798 0.86 L3MBTL1 (0.37) L3MBTL1LMNAHTTALDH1A1HDAC3
SCHEMBL5237267 0.85 S1PR1 (0.38) L3MBTL1LMNAHTTALDH1A1HDAC3
SCHEMBL5238798 0.85 L3MBTL1 (0.36) L3MBTL1LMNAHTTALDH1A1HDAC3
SCHEMBL5235215 0.81 RAB9A (0.36) L3MBTL1LMNAALDH1A1HDAC3HDAC1
SCHEMBL5231060 0.79 L3MBTL1 (0.39) L3MBTL1LMNAHTTALDH1A1HDAC3
SCHEMBL6624407 0.73
SCHEMBL5235699 0.70 CYP2C9 (0.36) L3MBTL1LMNACYP1A2CYP2C9TSHR
SCHEMBL5230288 0.68

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 L3MBTL1 2591/4885LMNA 894/4885HTT 2173/4885

“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.