SCHEMBL1626546

SCHEMBL1626546

O=C(O)C=Cc1ccc(OCCBr)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
ATM Q13315 1/20 0.57
TBXAS1 P24557 2/20 0.56
POLB P06746 1/20 0.53
HCAR2 Q8TDS4 2/20 0.50
CA12 O43570 1/20 0.50
AKR1B10 O60218 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA3 P07451 1/20 0.50
PKM P14618 1/20 0.50
TYR P14679 1/20 0.50
AKR1B1 P15121 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
DPP4 P27487 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL1626545 1.00 THRB (0.57) THRBATMTBXAS1POLBHCAR2
SCHEMBL11278299 0.92 THRB (0.56) THRBATMTBXAS1POLBHCAR2
SCHEMBL11278302 0.92 THRB (0.56) THRBATMTBXAS1POLBHCAR2
SCHEMBL28928327 0.90 THRB (0.54) THRBATMTBXAS1POLBPPARA
SCHEMBL11686354 0.90 THRB (0.65) THRBATMTBXAS1POLBHCAR2
SCHEMBL11684594 0.88 THRB (0.62) THRBATMTBXAS1POLBHCAR2
SCHEMBL6248405 0.85 THRB (0.59) THRBATMTBXAS1POLBHCAR2
SCHEMBL6248406 0.85 THRB (0.59) THRBATMTBXAS1POLBHCAR2
SCHEMBL4509884 0.83 PPARA (0.65) THRBATMTBXAS1POLBHCAR2
SCHEMBL4509890 0.83 PPARA (0.65) THRBATMTBXAS1POLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120322844-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2012-12-20 US disclosed
US-8273785-B2 Substituted 2-indolinone as PTK inhibitors containing a zinc binding moiety CURIS, INC. (US) 2012-09-25 US disclosed
US-20110190366-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2011-08-04 US disclosed
US-7928136-B2 Inhibitors of protein tyrosine kinase (PTK) receptors; diabetes, an autoimmune disorder, a hyperproliferation disorder, restenosis, fibrosis, psoriasis, von Heppel-Lindau disease, osteoarthritis; 5-((Z)-(5-fluoro-2-oxoindolin-3-ylidene)methyl)-N-hydroxy-2,4-dimethyl-1H-pyrrole-3-carboxamide CURIS, INC. (US) 2011-04-19 US disclosed
EP-2061758-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2009-05-27 EP disclosed
EP-2061772-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS Curis, Inc. (US) 2009-05-27 EP disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 WO disclosed
US-20080125478-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 US disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 WO disclosed
WO-2008033743-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-03-20 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 (4 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-20110190366-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC2, HDAC1, BAZ2A THRB 1057/4885ATM 815/4885TBXAS1 2901/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 THRB 2647/4885ATM 1022/4885TBXAS1 3290/4885
US-20080125478-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC2, HDAC1, BAZ2A THRB 1057/4885ATM 815/4885TBXAS1 2901/4885
US-20120322844-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC2, HDAC1, BAZ2A THRB 1057/4885ATM 815/4885TBXAS1 2901/4885

“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.