SCHEMBL3330640

SCHEMBL3330640

CCOC(=O)c1nc(N)sc1/C=C\SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ HPGD P15428 4/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ TARBP2 Q15633 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ APP P05067 1/20 0.37

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
SCHEMBL3330644 1.00 ALDH1A1 (0.46) ALDH1A1CYP1A2HSD17B10HPGDKDM4E
SCHEMBL3332595 0.83 KIF11 (0.36) ALDH1A1CYP1A2HSD17B10HPGDKDM4E
SCHEMBL3332597 0.83 KIF11 (0.36) ALDH1A1CYP1A2HSD17B10HPGDKDM4E
SCHEMBL3336287 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2HSD17B10HPGDKDM4E
SCHEMBL3336281 0.80 ALDH1A1 (0.44) ALDH1A1CYP1A2HSD17B10HPGDKDM4E
SCHEMBL3335558 0.74 CDC7 (0.44) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL3335563 0.74 CDC7 (0.44) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2
SCHEMBL3317624 0.70 ALDH1A1 (0.72) ALDH1A1CYP1A2HSD17B10HPGDKDM4E
SCHEMBL3933156 0.69 ALDH1A1 (0.56) ALDH1A1CYP1A2HSD17B10HPGDKDM4E
SCHEMBL3330371 0.68 KDM4E (0.35) ALDH1A1HSD17B10HPGDKDM4ESMN1; SMN2

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 ALDH1A1 1218/4885CYP1A2 1068/4885HSD17B10 939/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM ALDH1A1 1182/4885CYP1A2 1120/4885HSD17B10 554/4885

“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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