SCHEMBL1332747

SCHEMBL1332747

COC(=O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.52
CA2 P00918 11/20 0.52
CA9 Q16790 11/20 0.52
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
LPL P06858 3/20 0.42
LIPG Q9Y5X9 3/20 0.42
DGAT1 O75907 1/20 0.41
CXCR2 P25025 1/20 0.41
P4HB P07237 1/20 0.41
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
F11 P03951 2/20 0.40
F2 P00734 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
SCHEMBL25274590 0.84 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL4550141 0.84 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL22658568 0.82 CA1 (0.52) CA1CA2CA9CA12CA3
SCHEMBL1284377 0.81 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL706622 0.81 CA1 (0.57) CA1CA2CA9CA12CA3
SCHEMBL27374855 0.81 CA1 (0.54) CA1CA2CA9CA12CA3
SCHEMBL24992048 0.81 CA1 (0.51) CA1CA2CA9CA12CA3
SCHEMBL251814 0.80 CA1 (0.59) CA1CA2CA9CA12CA3
SCHEMBL5676171 0.79 RAB9A (0.63) CA1CA2CA9CA12
SCHEMBL3323634 0.79 HPGD (0.55) CA1CA2CA9CA12CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150521-B2 Methods of preventing and treating diabetes by inhibiting serotonin synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-10-06 US disclosed
US-9150521-B2 Methods of preventing and treating diabetes by inhibiting serotonin synthesis THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-10-06 US disclosed
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2014-12-25 US disclosed
US-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2014-12-25 US disclosed
US-8614222-B2 Methods of preventing and treating low bone mass diseases THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-12-24 US disclosed
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-17 US disclosed
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-17 US disclosed
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-11-17 US disclosed
WO-2010056992-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-05-20 WO disclosed
WO-2010056992-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2010-05-20 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 (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-20140378489-A1 METHODS OF PREVENTING AND TREATING DIABETES BY INHIBITING SEROTONIN SYNTHESIS TPH1, TPH2, HTR1A CA1 2038/4885CA2 2331/4885CA9 3022/4885
US-20110281899-A1 METHODS OF PREVENTING AND TREATING LOW BONE MASS DISEASES TPH1, HTR1A, TPH2 CA1 3312/4885CA2 3305/4885CA9 4067/4885

“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.