SCHEMBL12717644

SCHEMBL12717644

COc1cc(Cl)c(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 1.00
▸ ITGAV P06756 1/20 1.00
▸ KDM4E B2RXH2 1/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ MAPT P10636 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ TDP1 Q9NUW8 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ PTP4A3 O75365 1/20 0.63
▸ DUSP26 Q9BV47 3/20 0.54

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
SCHEMBL12717775 0.92 ITGB3 (0.85) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL12717765 0.85 PTP4A3 (0.83) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL20846416 0.79 PTP4A3 (0.70) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL30117305 0.77 PTP4A3 (1.00) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL12717766 0.74 PTPN1 (0.60) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL12177391 0.72 PTPN2 (0.57) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL14426562 0.70 PSMB8 (0.75) KDM4EMEN1ALDH1A1LMNAPOLB
SCHEMBL12177449 0.69 ALDH1A1 (0.61) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL12177489 0.69 ALDH1A1 (0.57) ITGB3ITGAVKDM4EMEN1ALDH1A1
SCHEMBL12177501 0.68 PTPN2 (0.61) ITGB3ITGAVMEN1ALDH1A1POLB

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-20140249191-A1 Compositions for Controlling Vascularization in Ophthalmological and Dermatological Diseases AVIENNE PHARMACEUTICALS GMBH (AT) 2014-09-04 — — US disclosed
US-20140249191-A1 Compositions for Controlling Vascularization in Ophthalmological and Dermatological Diseases AVIENNE PHARMACEUTICALS GMBH (AT) 2014-09-04 — — US disclosed
US-20130102645-A1 Methods and compositions for controlling vascularization in ophthalmological and dermatological diseases AVIENNE PHARMACEUTICALS GMBH (AT) 2013-04-25 — — US disclosed
WO-2013057183-A1 COMPOSITIONS FOR CONTROLLING VASCULARIZATION IN OPHTHALMOLOGICAL AND DERMATOLOGICAL DISEASES AVIENNE PHARMACEUTICALS GMBH (AT) 2013-04-25 — — WO disclosed
US-20130102645-A1 Methods and compositions for controlling vascularization in ophthalmological and dermatological diseases AVIENNE PHARMACEUTICALS GMBH (AT) 2013-04-25 — — US disclosed
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
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

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-20130102645-A1 Methods and compositions for controlling vascularization in ophthalmological and dermatological diseases KDR, REN, FLT1 ITGB3 2036/4885ITGAV 1978/4885KDM4E 4397/4885
US-20070155750-A1 INTEGRIN-BINDING SMALL MOLECULES ITGB3, ITGB5, ITGA2B ITGB3 1/4885ITGAV 7/4885KDM4E 3949/4885
US-20140249191-A1 Compositions for Controlling Vascularization in Ophthalmological and Dermatological Diseases FLT1, KDR, FLT4 ITGB3 2012/4885ITGAV 1557/4885KDM4E 4460/4885

“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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