SCHEMBL4775243

SCHEMBL4775243

CC(=O)N(C)c1cccc(B(O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MGLL Q99685 2/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
BRD4 O60885 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
PDK2 Q15119 1/20 0.38
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 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
SCHEMBL7820160 0.84 ENPP2 (0.44) ENPP2KDM4EALDH1A1MGLLHSD17B1
SCHEMBL23531983 0.80 BTK (0.41) ENPP2KDM4EALDH1A1MGLL
SCHEMBL150235 0.79 ALDH1A1 (0.54) ENPP2KDM4EALDH1A1MGLLCA4
SCHEMBL12266129 0.79 SMN1; SMN2 (0.50) ENPP2ALDH1A1
SCHEMBL7858429 0.78 CES2 (0.44) KDM4EALDH1A1BRD4LIN28APDK2
SCHEMBL27194900 0.78 BRD4 (0.49) ENPP2KDM4EALDH1A1MGLLBRD4
SCHEMBL30203518 0.78 BRD4 (0.49) ENPP2KDM4EALDH1A1MGLLBRD4
SCHEMBL11409410 0.77 ALDH1A1 (0.52) KDM4EALDH1A1BRD4LIN28APDK2
Hydrochloric Acid SCHEMBL9098386 0.77 ALDH1A1 (0.52) ENPP2KDM4EALDH1A1MGLLCA4
SCHEMBL29674755 0.76 HSD17B1 (0.57) KDM4EALDH1A1BRD4LIN28AHSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080058351-A1 Deuterated pyrazolo(1,5-a)pyrimidine compounds; sedative or hypnotic agents; sleep disorders such as insomnia; modulating a GABA receptor-chloride ionophore complex in a cell through binding to the neurosteroid site on the complex CONCERT PHARMACEUTICALS INC. (US) 2008-03-06 US disclosed
WO-2008005471-A2 NOVEL HETEROBICYCLIC COMPOUNDS CONCERT PHARMACEUTICALS INC. (US) 2008-01-10 WO 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-20080058351-A1 Deuterated pyrazolo(1,5-a)pyrimidine compounds; sedative or hypnotic agents; sleep disorders such as insomnia; modulating a GABA receptor-chloride ionophore complex in a cell through binding to the neurosteroid site on the complex GABRA5, GABRA1, GABRA4 ENPP2 3888/4885KDM4E 2844/4885ALDH1A1 1696/4885

“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.