SCHEMBL3334158

SCHEMBL3334158

NC(=O)c1ncc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.35
▸ SCD O00767 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HTT P42858 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
SCHEMBL3334153 1.00 KIF11 (0.35) KIF11SCDHDAC1HDAC2MAPT
SCHEMBL3334713 0.84 KIF11 (0.38) KIF11HDAC1HDAC2MAPTKMT2A
SCHEMBL3331881 0.81 KIF11 (0.33) KIF11
SCHEMBL3331883 0.81 KIF11 (0.33) KIF11
SCHEMBL3330466 0.75 KIF11 (0.34) KIF11HDAC1HDAC2MAPTKMT2A
SCHEMBL3330470 0.75 KIF11 (0.34) KIF11HDAC1HDAC2MAPTKMT2A
SCHEMBL3329349 0.73 KDM4E (0.35) KIF11MAPTKMT2A
SCHEMBL3329351 0.73 KDM4E (0.35) KIF11MAPTKMT2A
SCHEMBL3334313 0.72 KIF11 (0.33) KIF11MAPT
SCHEMBL3332597 0.72 KIF11 (0.36) KIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344154-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2013-01-01 — — US disclosed
US-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MARUYAMA TAKAHISA 2010-06-10 — — US disclosed
US-7687490-B2 2-thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2010-03-30 — — US disclosed
EP-1870412-A1 2-THIOETHENYL CARBAPENEM DERIVATIVE MEIJI SEIKA KAISHA LTD. (JP) 2007-12-26 — — EP disclosed
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MEIJI SEIKA KAISHA, LTD. (JP) 2007-01-04 — — 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 (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-20100145063-A1 2- thioethenyl substituted carbapenem derivatives MTAP, BLVRB, TPMT KIF11 3795/4885SCD 764/4885HDAC1 440/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KIF11 4452/4885SCD 491/4885HDAC1 499/4885

“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.

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