SCHEMBL12717766

SCHEMBL12717766

COc1cc(OC)c(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1Br

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.60
▸ ITGB3 P05106 2/20 0.59
▸ ITGAV P06756 2/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ POLB P06746 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ PKM P14618 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ PSMB8 P28062 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ AURKA O14965 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
SCHEMBL14883357 0.76 ALDH1A1 (0.69) ITGB3ITGAVALDH1A1POLBMAPT
SCHEMBL12177442 0.75 ALDH1A1 (0.62) PTPN1ITGB3ITGAVALDH1A1POLB
SCHEMBL12717644 0.74 ITGB3 (1.00) ITGB3ITGAVALDH1A1POLBMAPT
SCHEMBL12177501 0.74 PTPN2 (0.61) PTPN1ITGB3ITGAVALDH1A1POLB
SCHEMBL12177731 0.74 PTPN2 (0.61) PTPN1ITGB3ITGAVALDH1A1POLB
SCHEMBL12177530 0.73 ALDH1A1 (0.59) PTPN1ITGB3ITGAVALDH1A1POLB
SCHEMBL12177449 0.73 ALDH1A1 (0.61) PTPN1ITGB3ITGAVALDH1A1POLB
SCHEMBL14876910 0.72 ITGB3 (1.00) PTPN1ITGB3ITGAVALDH1A1POLB
SCHEMBL14883359 0.72 ITGB3 (1.00) PTPN1ITGB3ITGAVALDH1A1POLB
SCHEMBL12717615 0.72 ITGB3 (1.00) PTPN1ITGB3ITGAVALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928113-B2 Integrin-binding small molecules UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-19 — — US disclosed
US-7928113-B2 Integrin-binding small molecules UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2011-04-19 — — US disclosed
EP-2298308-A2 Integrin-binding small molecules University Of Southern California (US) 2011-03-23 — — EP disclosed
US-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES USC STEVENS-UNIVERSITY OF SOUTHERN CALIFORNIA 2007-07-05 — — US disclosed
US-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES USC STEVENS-UNIVERSITY OF SOUTHERN CALIFORNIA 2007-07-05 — — US disclosed
WO-2007059195-A1 INTEGRIN-BINDING SMALL MOLECULES UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2007-05-24 — — 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 (1 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-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES ITGB3, ITGB5, ITGA2B PTPN1 2736/4885ITGB3 1/4885ITGAV 7/4885

“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.

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