SCHEMBL3333880

SCHEMBL3333880

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KCNN4 O15554 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL3333889 1.00 MAOA (0.43) MAOAACHEMAPTMEN1KMT2A
SCHEMBL3331218 0.86 KDM4E (0.38) ACHEALDH1A1POLBHPGDSKDM4E
SCHEMBL3331216 0.86 KDM4E (0.38) ACHEALDH1A1POLBHPGDSKDM4E
SCHEMBL3334448 0.86 HPGD (0.40) ACHEMAPTNPC1RAB9ACYP1A2
SCHEMBL3331614 0.84 HTR2B (0.41) ACHEMAPTKMT2AALDH1A1CYP2C19
SCHEMBL3331617 0.84 HTR2B (0.41) ACHEMAPTKMT2AALDH1A1CYP2C19
SCHEMBL3330273 0.83 NLRP3 (0.38) MAPTRAB9AHDAC1HDAC6
SCHEMBL3333277 0.81 HIF1A (0.43) MAPTMEN1KMT2AALDH1A1CYP1A2
SCHEMBL3338137 0.79 HIF1A (0.41) MEN1KMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL3335688 0.77 ACSS2 (0.35) MAPTALDH1A1NPC1RAB9AHSD17B10

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 MAOA 3675/4885ACHE 3382/4885MAPT 3619/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM MAOA 2241/4885ACHE 2739/4885MAPT 3579/4885

“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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