SCHEMBL18364957

SCHEMBL18364957

C#CCNC(=O)c1ccc(OC(=O)CC(C)=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ CA14 Q9ULX7 1/20 0.52
▸ SCD O00767 1/20 0.45
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ KMT2A Q03164 6/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40

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
SCHEMBL29022616 0.82 CA1 (0.59) CA12CA1CA2CA9CA14
SCHEMBL18375120 0.81 POLB (0.50) CA12CA1CA2CA9CA14
SCHEMBL4818576 0.80 RAB9A (0.63) CA12CA1CA2CA9CA14
SCHEMBL18754482 0.79 ALDH1A1 (0.50) CA12CA1CA2CA9CA14
SCHEMBL15501169 0.76 HSD17B10 (0.58) CA1CA2SMN1; SMN2KMT2AESR1
SCHEMBL17670798 0.75 EPHX2 (0.59) CA12CA1CA2CA9CA14
SCHEMBL22231444 0.75 MAPT (0.54) CA12CA1CA2CA9CA14
SCHEMBL18704333 0.75 ATM (0.64) CA12CA1CA2CA9CA14
SCHEMBL10567784 0.74 CA1 (0.61) CA12CA1CA2CA9CA14
SCHEMBL18364959 0.74 CA12 (0.65) CA12CA1CA2CA9CA14

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170008927-A1 ARTIFICIAL CATALYST SYSTEM SUBSTITUTABLE FOR IN VIVO ACYLATION FUNCTION THE UNIVERSITY OF TOKYO (JP) 2017-01-12 — — 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 (1 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-20170008927-A1 ARTIFICIAL CATALYST SYSTEM SUBSTITUTABLE FOR IN VIVO ACYLATION FUNCTION KAT2A, KAT7, EP300 CA12 1932/4885CA1 2128/4885CA2 2536/4885

“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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