SCHEMBL3332597

SCHEMBL3332597

NC(=O)c1nc(N)sc1C=CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAP2K3 P46734 1/20 0.33
▸ COPS5 Q92905 4/20 0.33
▸ IKBKB O14920 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ LMNA P02545 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
SCHEMBL3332595 1.00 KIF11 (0.36) KIF11KDM4EALDH1A1HSD17B10HPGD
SCHEMBL3330644 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3330640 0.83 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL3329349 0.79 KDM4E (0.35) KIF11KDM4EIKBKBRAB9ACYP1A2
SCHEMBL3329351 0.79 KDM4E (0.35) KIF11KDM4EIKBKBRAB9ACYP1A2
SCHEMBL3334313 0.78 KIF11 (0.33) KIF11KDM4EHSD17B10MAP2K3IKBKB
SCHEMBL3334307 0.78 KIF11 (0.33) KIF11KDM4EHSD17B10MAP2K3IKBKB
SCHEMBL3334153 0.72 KIF11 (0.35) KIF11KMT2A
SCHEMBL3334158 0.72 KIF11 (0.35) KIF11KMT2A
SCHEMBL3334072 0.71 KDM4E (0.44) KIF11KDM4EALDH1A1SMN1; SMN2CYP1A2

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 3795/4885KDM4E 3386/4885ALDH1A1 1218/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KIF11 4452/4885KDM4E 2518/4885ALDH1A1 1182/4885

“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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