SCHEMBL2834780

SCHEMBL2834780

O=C(O)CC(Oc1cccc(NC(=O)c2cccc(Nc3ncc[nH]3)c2)c1)c1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
KMT2A Q03164 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
ITGA2B P08514 1/20 0.44
MAPK1 P28482 2/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BRAF P15056 2/20 0.43
KDR P35968 1/20 0.43
KCNK3 O14649 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
GRM5 P41594 1/20 0.42

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
SCHEMBL2836403 0.94 ADRB2 (0.46) TSHRSMN1; SMN2KMT2AITGB3ITGAV
SCHEMBL2842271 0.93 ITGB3 (0.45) TSHRSMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL2836419 0.92 MAPK1 (0.49) SMN1; SMN2CYP1A2CYP2C9KMT2AITGB3
SCHEMBL2839343 0.90 ITGB3 (0.44) TSHRSMN1; SMN2KMT2AITGB3ITGAV
SCHEMBL2839497 0.86 ITGB3 (0.48) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL2833790 0.85 ITGB3 (0.49) TSHRSMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL2832143 0.85 ITGB3 (0.45) SMN1; SMN2KMT2AITGB3ITGAVITGA2B
SCHEMBL2838982 0.85 MAPK1 (0.49) SMN1; SMN2KMT2AITGB3ITGAVMAPK1
SCHEMBL2834263 0.85 ITGB3 (0.53) TSHRSMN1; SMN2CYP1A2CYP2C9KMT2A
SCHEMBL2837446 0.83 ITGB3 (0.51) TSHRSMN1; SMN2CYP1A2CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists PHARMACIA ITALIA S.P.A. (IT) 2003-07-31 US claimed
EP-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP claimed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 WO claimed
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2018-12-06 US disclosed
US-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases THE GENERAL HOSPITAL CORPORATION 2016-10-13 US disclosed
US-9345739-B2 Methods and compositions for the treatment of proteinuric diseases THE GENERAL HOSPITAL CORPORATION (US) 2016-05-24 US disclosed
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION 2010-11-25 US disclosed
WO-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed
US-6974828-B2 Propanoic acid derivatives as intergrin receptor antagonists PHARMACIA ITALIA S.P.A. (IT) 2005-12-13 US disclosed
EP-1282602-B1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA SPA (IT) 2005-09-21 EP disclosed
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists PHARMACIA ITALIA S.P.A. (IT) 2003-07-31 US disclosed
EP-1282602-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Italia S.p.A. (IT) 2003-02-12 EP disclosed
WO-2001087840-A1 PROPANOIC ACID DERIVATIVES AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA ITALIA S.P.A. (IT) 2001-11-22 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-20160296592-A1 Methods and Compositions for the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC TSHR 2924/4885SMN1; SMN2 2933/4885CYP1A2 4218/4885
US-20180344803-A1 Methods and Compositions For the Treatment of Proteinuric Diseases ITGB3, PLAUR, PROC TSHR 2924/4885SMN1; SMN2 2933/4885CYP1A2 4218/4885
US-20100297139-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES ITGB3, PLAUR, PROC TSHR 2924/4885SMN1; SMN2 2933/4885CYP1A2 4218/4885
US-20030144311-A1 Propanoic acid derivatives as intergrin receptor antagonists ITGB3, HCAR3, ADRB3 TSHR 585/4885SMN1; SMN2 3614/4885CYP1A2 4598/4885

“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.