SCHEMBL20129360

SCHEMBL20129360

CC(CC(C)c1cccc(B(O)O)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 4/20 0.49
▸ MGLL Q99685 1/20 0.47
▸ ENPP2 Q13822 7/20 0.43
▸ CA4 P22748 1/20 0.43
▸ CA6 P23280 1/20 0.43
▸ CA5A P35218 1/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA5B Q9Y2D0 1/20 0.43
▸ TAAR1 Q96RJ0 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LPL P06858 2/20 0.39
▸ LIPG Q9Y5X9 2/20 0.39
▸ AOC3 Q16853 1/20 0.38

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
SCHEMBL16293433 0.82 ENPP2 (0.48) TRPA1MGLLENPP2CA4CA6
SCHEMBL3787098 0.82 HDAC4 (0.53) MGLLENPP2CA4CA6CA5A
SCHEMBL16293432 0.82 ENPP2 (0.48) TRPA1MGLLENPP2CA4CA6
SCHEMBL2722929 0.80 FFAR1 (0.46) MGLLENPP2KDM4EALDH1A1LPL
SCHEMBL129343 0.77 ENPP2 (0.50) MGLLENPP2CA4CA6CA5A
SCHEMBL31430960 0.77 ENPP2 (0.50) MGLLENPP2CA4CA6CA5A
SCHEMBL3672929 0.77 TRPA1 (0.67) TRPA1TAAR1KDM4EALDH1A1AOC3
SCHEMBL1812495 0.76 ENPP2 (0.48) MGLLENPP2CA4CA6CA5A
SCHEMBL2440765 0.74 PTGS1 (0.56) MGLLKDM4EALDH1A1
SCHEMBL5096934 0.74 ENPP2 (0.50) MGLLENPP2CA4CA6CA5A

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-10759729-B2 Compounds for treating diabetes THE CHINESE UNIVERSITY OF HONG KONG (CN) 2020-09-01 — — US disclosed
US-20180127343-A1 NOVEL COMPOUNDS FOR TREATING DIABETES THE CHINESE UNIVERSITY OF HONG KONG (CN) 2018-05-10 — — 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-10759729-B2 Compounds for treating diabetes SLC5A2, GPR119, DPP4 TRPA1 4364/4885MGLL 363/4885ENPP2 352/4885
US-20180127343-A1 NOVEL COMPOUNDS FOR TREATING DIABETES GPR119, SLC5A2, DPP4 TRPA1 4655/4885MGLL 307/4885ENPP2 286/4885

“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.

Send feedback