SCHEMBL3088412

SCHEMBL3088412

Cc1onc(-c2ccccc2)c1B(O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.58
PTGS1 P23219 3/20 0.58
KMT2A Q03164 3/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
BRD4 O60885 1/20 0.46
BRD2 P25440 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.44
MT-CO2 P00403 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL2205047 0.75 PTGS1 (0.68) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL2277199 0.73 PTGS2 (1.00) PTGS2PTGS1KMT2ABRD4BRD2
SCHEMBL9878955 0.73 PTGS1 (0.66) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL3052006 0.72 PTGS2 (0.54) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL989981 0.72 PTGS1 (0.63) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL657826 0.72 PTGS1 (0.63) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL2205044 0.72 PTGS2 (0.69) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL3952331 0.72 PTGS1 (0.63) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL31254543 0.72 PTGS1 (0.63) PTGS2PTGS1KMT2AMEN1GAA
SCHEMBL107436 0.71 PTGS1 (0.58) PTGS2PTGS1KMT2AMEN1GAA

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 9 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
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. 2012-05-17 US disclosed
WO-2010129570-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS PLEXXIKON, INC. (US) 2010-11-11 WO disclosed
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH LLC 2010-09-09 US disclosed
EP-2144893-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2010-01-20 EP disclosed
WO-2008137816-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-11-13 WO disclosed
US-7329401-B2 Cyclooxygenase-2 selective agents useful as imaging probes and related methods THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-02-12 US disclosed
US-20070286801-A1 CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-12-13 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-20070286801-A1 CYCLOOXYGENASE-2 SELECTIVE AGENTS USEFUL AS IMAGING PROBES AND RELATED METHODS PTGS2, PTGES2, PTGER2 PTGS2 1/4885PTGS1 4/4885KMT2A 4056/4885
US-20120122860-A1 SOLID FORMS OF SULFONAMIDES AND AMINO ACIDS BRAF, RAF1, ARAF PTGS2 955/4885PTGS1 761/4885KMT2A 714/4885
US-20100227859-A1 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP2, MMP12 PTGS2 180/4885PTGS1 78/4885KMT2A 2746/4885

“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.