SCHEMBL3338137

SCHEMBL3338137

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 2/20 0.41
▸ HPGDS O60760 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ PIM1 P11309 2/20 0.36
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ ACSS2 Q9NR19 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC9 Q9UKV0 1/20 0.36

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
SCHEMBL3333277 0.95 HIF1A (0.43) HIF1AHPGDSCYP1A2CYP3A4CYP2C9
SCHEMBL3334448 0.83 HPGD (0.40) HIF1ACYP1A2CYP3A4CYP2C9HPGD
SCHEMBL3331216 0.81 KDM4E (0.38) HPGDSHDAC1HDAC6
SCHEMBL3331218 0.81 KDM4E (0.38) HPGDSHDAC1HDAC6
SCHEMBL3331614 0.79 HTR2B (0.41) CYP2C9CYP2C19HDAC3HDAC1HDAC6
SCHEMBL3331617 0.79 HTR2B (0.41) CYP2C9CYP2C19HDAC3HDAC1HDAC6
SCHEMBL3333880 0.79 MAOA (0.43) HPGDSCYP1A2CYP2C19HDAC1HDAC6
SCHEMBL3333889 0.79 MAOA (0.43) HPGDSCYP1A2CYP2C19HDAC1HDAC6
SCHEMBL3331672 0.78 HTT (0.36) HIF1AHPGDSCYP1A2CYP3A4HTT
SCHEMBL3330273 0.77 NLRP3 (0.38) HDAC3HDAC1HDAC6HDAC4HDAC7

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 HIF1A 4404/4885HPGDS 1195/4885CYP1A2 1068/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HIF1A 4402/4885HPGDS 1656/4885CYP1A2 1120/4885

“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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