SCHEMBL13301119

SCHEMBL13301119

C/C=C\c1cnc(C(=O)N(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ HDAC1 Q13547 3/20 0.30
▸ HDAC2 Q92769 3/20 0.30
▸ HDAC3 O15379 2/20 0.30
▸ HDAC4 P56524 2/20 0.30
▸ HDAC7 Q8WUI4 2/20 0.30
▸ HDAC10 Q969S8 2/20 0.30
▸ HDAC11 Q96DB2 2/20 0.30
▸ HDAC8 Q9BY41 2/20 0.30
▸ HDAC6 Q9UBN7 2/20 0.30
▸ HDAC9 Q9UKV0 2/20 0.30
▸ HDAC5 Q9UQL6 2/20 0.30

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
SCHEMBL16742553 0.82 ALDH1A1 (0.42) HSD17B1HSD17B2KMT2A
SCHEMBL13301117 0.79 HDAC1 (0.34) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL2629374 0.72 NOS1 (0.40) HSD17B1HSD17B2KMT2A
SCHEMBL3339285 0.71 PIK3CD (0.35) HSD17B1HSD17B2KMT2AHDAC3HDAC4
SCHEMBL31335645 0.69 ALDH1A1 (0.42) HSD17B1HSD17B2HDAC3HDAC4HDAC6
SCHEMBL24127269 0.68 CYP1A2 (0.37) HSD17B1HSD17B2HDAC3HDAC4HDAC6
SCHEMBL22723764 0.67 — —
SCHEMBL20880240 0.67 — —
SCHEMBL7995724 0.67 ALDH1A1 (0.35) HSD17B1HSD17B2KMT2AHDAC3HDAC4
SCHEMBL3333089 0.67 HSD17B1 (0.34) HSD17B1HSD17B2HDAC8

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 4 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
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 HSD17B1 270/4885HSD17B2 271/4885KMT2A 1498/4885
US-20070004700-A1 2-Thioethenyl substituted carbapenem derivatives MTAP, BLVRB, BPGM HSD17B1 297/4885HSD17B2 350/4885KMT2A 351/4885

“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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