SCHEMBL3334448

SCHEMBL3334448

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ AHR P35869 1/20 0.38
▸ KIF11 P52732 2/20 0.38
▸ HDAC1 Q13547 4/20 0.36
▸ HDAC6 Q9UBN7 4/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ BRD4 O60885 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34

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
SCHEMBL3331218 0.86 KDM4E (0.38) POLBHDAC1HDAC6ACHE
SCHEMBL3331216 0.86 KDM4E (0.38) POLBHDAC1HDAC6ACHE
SCHEMBL3333277 0.86 HIF1A (0.43) HPGDGAAHDAC1HDAC6HDAC8
SCHEMBL3333889 0.86 MAOA (0.43) RAB9ANPC1POLBGAAHDAC1
SCHEMBL3333880 0.86 MAOA (0.43) RAB9ANPC1POLBGAAHDAC1
SCHEMBL3331614 0.84 HTR2B (0.41) KIF11HDAC1HDAC6HDAC8MAPT
SCHEMBL3331617 0.84 HTR2B (0.41) KIF11HDAC1HDAC6HDAC8MAPT
SCHEMBL3330273 0.83 NLRP3 (0.38) RAB9AKIF11HDAC1HDAC6HDAC8
SCHEMBL3338137 0.83 HIF1A (0.41) HPGDHDAC1HDAC6HDAC8HIF1A
SCHEMBL3335692 0.77 ACSS2 (0.35) HPGDRAB9ANPC1GAAMAPT

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 HPGD 382/4885RAB9A 910/4885NPC1 1629/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HPGD 551/4885RAB9A 739/4885NPC1 1742/4885

“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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