SCHEMBL3335692

SCHEMBL3335692

O=C(c1csc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)n1)N1CC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.35
▸ HTR2C P28335 3/20 0.34
▸ TRPC3 Q13507 2/20 0.32
▸ TRPC6 Q9Y210 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ SCD O00767 5/20 0.31
▸ SCD5 Q86SK9 5/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31

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
SCHEMBL3335688 1.00 ACSS2 (0.35) ACSS2HTR2CTRPC3TRPC6SCN9A
SCHEMBL3333097 0.88 SCN9A (0.35) HTR2CSCN9A
SCHEMBL3333092 0.88 SCN9A (0.35) HTR2CSCN9A
SCHEMBL3331216 0.81 KDM4E (0.38) ALDH1A1L3MBTL1KDM4E
SCHEMBL3331218 0.81 KDM4E (0.38) ALDH1A1L3MBTL1KDM4E
SCHEMBL3331617 0.79 HTR2B (0.41) SCN9ASCDALDH1A1MAPT
SCHEMBL3331614 0.79 HTR2B (0.41) SCN9ASCDALDH1A1MAPT
SCHEMBL3334437 0.77 ACSS2 (0.35) ACSS2KDM4E
SCHEMBL3334442 0.77 ACSS2 (0.35) ACSS2KDM4E
SCHEMBL3334448 0.77 HPGD (0.40) NPC1HPGDRAB9ASMN1; SMN2GAA

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 ACSS2 3492/4885HTR2C 2697/4885TRPC3 4366/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ACSS2 1965/4885HTR2C 2256/4885TRPC3 4476/4885

“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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