SCHEMBL12740992

SCHEMBL12740992

OCCSc1ccc(B(O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.48
CA1 P00915 3/20 0.48
CA7 P43166 2/20 0.48
CA12 O43570 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
ENPP2 Q13822 3/20 0.41
LPL P06858 3/20 0.40
LIPG Q9Y5X9 3/20 0.40
TSHR P16473 1/20 0.39
F11 P03951 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
MGLL Q99685 1/20 0.37
MAPK1 P28482 1/20 0.36

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
SCHEMBL8637757 0.83 CA2 (0.61) CA2CA1CA7CA12CA13
SCHEMBL3062911 0.81 LPL (0.50) CA2CA1CA7CA12CA13
SCHEMBL384521 0.78 CA2 (0.45) CA2CA1ENPP2LPLLIPG
SCHEMBL15229585 0.78 CA2 (0.53) CA2CA1LPLLIPGMGLL
SCHEMBL8529367 0.77 CA2 (0.55) CA2CA1CA7CA12CA13
SCHEMBL3900894 0.77 CA2 (0.55) CA2CA1CA7CA12CA13
SCHEMBL29956961 0.76 MAOA (0.47) CA2CA1ENPP2LPLLIPG
SCHEMBL2112431 0.76 LPL (0.52) CA2CA1ENPP2LPLLIPG
SCHEMBL2490739 0.75 LIPG (0.56) CA2CA1LPLLIPGMGLL
SCHEMBL389159 0.75 KDM4E (0.46) CA2CA1ENPP2LPLLIPG

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-107849045-B purinyl-N-hydroxypyrimidine carboxamide derivative and preparation method and application thereof 贵州百灵企业集团制药股份有限公司 2019-12-24 CN disclosed
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2015-08-20 US disclosed
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases VERTEX PHARMA (US) 2014-11-06 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 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 (3 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-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 CA2 468/4885CA1 4561/4885CA7 1814/4885
US-20140329814-A2 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CA2 468/4885CA1 4561/4885CA7 1814/4885
US-20150231142-A1 Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases CFTR, SLC26A4, ABCB11 CA2 468/4885CA1 4561/4885CA7 1814/4885

“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.