SCHEMBL12367757

SCHEMBL12367757

COC(=O)/C=C/c1ccc(OCCN)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
TYR P14679 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
FDPS P14324 1/20 0.52
GSK3B P49841 1/20 0.51
PTPN1 P18031 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
CYP3A4 P08684 1/20 0.49
TTR P02766 1/20 0.49
APP P05067 1/20 0.49
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SAE1 Q9UBE0 1/20 0.47

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
SCHEMBL269462 0.88 CA12 (0.60) CA12CA1CA2TYRCA7
SCHEMBL641623 0.86 CA12 (0.58) CA12CA1CA2TYRCA7
SCHEMBL13958437 0.86 CA12 (0.58) CA12CA1CA2TYRCA7
SCHEMBL8782823 0.86 ABCG2 (0.62) CA12CA1CA2TYRCA7
SCHEMBL142092 0.86 ABCG2 (0.62) CA12CA1CA2TYRCA7
SCHEMBL641622 0.86 CA12 (0.58) CA12CA1CA2TYRCA7
SCHEMBL19244469 0.86 ABCG2 (0.62) CA12CA1CA2TYRCA7
SCHEMBL18569987 0.86 GSK3B (0.60) GSK3BKDM4ECYP3A4KMT2ASMN1; SMN2
SCHEMBL9339004 0.85 CA12 (0.57) CA12CA1CA2TYRCA7
SCHEMBL14634380 0.85 CA12 (0.57) CA12CA1CA2TYRCA7

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 14 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-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-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-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
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
CN-101641338-A Multifunctional small molecules as antiproliferative agents CURIS INC US 2010-02-03 CN disclosed
CN-101535254-A Substituted 2-indolinone as ptk inhibitors containing a zinc binding moiety CURIS INC (US) 2009-09-16 CN disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 US disclosed
US-20080125478-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 US disclosed
US-20080125478-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2008-05-29 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 (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 CA12 3428/4885CA1 2206/4885CA2 1563/4885
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 CA12 3686/4885CA1 3759/4885CA2 2862/4885
US-20080125478-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC2, HDAC1, BAZ2A CA12 3428/4885CA1 2206/4885CA2 1563/4885
US-20120322844-A1 SUBSTITUTED 2-INDOLINONE AS PTK INHIBITORS CONTAINING A ZINC BINDING MOIETY HDAC2, HDAC1, BAZ2A CA12 3428/4885CA1 2206/4885CA2 1563/4885

“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.