SCHEMBL3335563

SCHEMBL3335563

CCOC(=O)c1cnc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.44
▸ DBF4 Q9UBU7 3/20 0.44
▸ GABRP O00591 2/20 0.38
▸ GABRD O14764 2/20 0.38
▸ GABRA1 P14867 2/20 0.38
▸ GABRB1 P18505 2/20 0.38
▸ GABRG2 P18507 2/20 0.38
▸ GABRB3 P28472 2/20 0.38
▸ GABRA5 P31644 2/20 0.38
▸ GABRA3 P34903 2/20 0.38
▸ GABRA2 P47869 2/20 0.38
▸ GABRB2 P47870 2/20 0.38
▸ GABRA4 P48169 2/20 0.38
▸ GABRE P78334 2/20 0.38
▸ GABRA6 Q16445 2/20 0.38
▸ GABRG1 Q8N1C3 2/20 0.38
▸ GABRG3 Q99928 2/20 0.38
▸ GABRQ Q9UN88 2/20 0.38
▸ OGA O60502 2/20 0.37
▸ KDM4E B2RXH2 2/20 0.36

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
SCHEMBL3335558 1.00 CDC7 (0.44) CDC7DBF4GABRPGABRDGABRA1
SCHEMBL3336281 0.79 ALDH1A1 (0.44) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL3336287 0.79 ALDH1A1 (0.44) CDC7DBF4KDM4EALDH1A1HPGD
SCHEMBL16399292 0.74 MAPT (0.48) CDC7DBF4ALDH1A1HPGDLMNA
SCHEMBL3330640 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL16399290 0.74 MAPT (0.48) CDC7DBF4ALDH1A1HPGDLMNA
SCHEMBL3330644 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL3333890 0.73 KIF11 (0.31) —
SCHEMBL3333894 0.73 KIF11 (0.31) —
SCHEMBL18002949 0.73 CDC7 (0.48) CDC7DBF4KDM4EHDAC3HDAC4

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 CDC7 4783/4885DBF4 4501/4885GABRP 702/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM CDC7 4772/4885DBF4 3535/4885GABRP 1010/4885

“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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