SCHEMBL3334313

SCHEMBL3334313

NC(=O)c1nc(C=CSC(c2ccccc2)(c2ccccc2)c2ccccc2)sc1C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ DBF4 Q9UBU7 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ IKBKB O14920 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ BTK Q06187 1/20 0.31
▸ MAP2K3 P46734 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ NCOA2 Q15596 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL3334307 1.00 KIF11 (0.33) KIF11CDC7CCNE1CDK2DBF4
SCHEMBL3332595 0.78 KIF11 (0.36) KIF11NPC1RAB9ALIMK1IKBKB
SCHEMBL3332597 0.78 KIF11 (0.36) KIF11NPC1RAB9ALIMK1IKBKB
SCHEMBL3336287 0.77 ALDH1A1 (0.44) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL3336281 0.77 ALDH1A1 (0.44) CDC7DBF4NPC1RAB9AMAPT
SCHEMBL3331614 0.76 HTR2B (0.41) KIF11MAPTCYP2C9
SCHEMBL3331617 0.76 HTR2B (0.41) KIF11MAPTCYP2C9
SCHEMBL3329351 0.73 KDM4E (0.35) KIF11RAB9AMAPTIKBKBCYP1A2
SCHEMBL3329349 0.73 KDM4E (0.35) KIF11RAB9AMAPTIKBKBCYP1A2
SCHEMBL3334153 0.72 KIF11 (0.35) KIF11MAPT

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 3795/4885CDC7 4783/4885CCNE1 4198/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM KIF11 4452/4885CDC7 4772/4885CCNE1 3405/4885

“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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