SCHEMBL3331614

SCHEMBL3331614

NC(=O)c1csc(/C=C\SC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2B P41595 1/20 0.41
▸ ACHE P22303 1/20 0.38
▸ KIF11 P52732 5/20 0.34
▸ CYP2C9 P11712 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32
▸ AMY1A P0DUB6 1/20 0.32
▸ ALDH1A1 P00352 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
SCHEMBL3331617 1.00 HTR2B (0.41) HTR2BACHEKIF11CYP2C9SCN9A
SCHEMBL3331216 0.90 KDM4E (0.38) ACHEHDAC1HDAC6ALDH1A1
SCHEMBL3331218 0.90 KDM4E (0.38) ACHEHDAC1HDAC6ALDH1A1
SCHEMBL3334448 0.84 HPGD (0.40) ACHEKIF11CYP2C9HDAC1HDAC6
SCHEMBL3333889 0.84 MAOA (0.43) ACHEHDAC1HDAC6CYP2C19ALDH1A1
SCHEMBL3330273 0.84 NLRP3 (0.38) KIF11HDAC1HDAC6HDAC3HDAC4
SCHEMBL3333880 0.84 MAOA (0.43) ACHEHDAC1HDAC6CYP2C19ALDH1A1
SCHEMBL3333277 0.82 HIF1A (0.43) CYP2C9HDAC1HDAC6CYP2C19HDAC8
SCHEMBL3335692 0.79 ACSS2 (0.35) SCN9AALDH1A1SCDMAPT
SCHEMBL3335688 0.79 ACSS2 (0.35) SCN9AALDH1A1SCDMAPT

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 HTR2B 3784/4885ACHE 3382/4885KIF11 3795/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HTR2B 3606/4885ACHE 2739/4885KIF11 4452/4885

“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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