SCHEMBL4828247

SCHEMBL4828247

Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)N[C@@H](CC(=O)O)C(=O)O)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 3/20 0.49
ITGAV P06756 3/20 0.49
ITGB1 P05556 1/20 0.49
ITGB5 P18084 1/20 0.49
CNR1 P21554 1/20 0.47
MMP9 P14780 1/20 0.47
PTGS1 P23219 1/20 0.46
HTR2B P41595 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 1/20 0.46
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
LMNA P02545 1/20 0.44
PTBP1 P26599 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL4828175 0.90 MMP9 (0.59) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL11588560 0.85 POLB (0.49) MMP9
SCHEMBL4828294 0.84 CASP3 (0.59) MEN1KMT2A
SCHEMBL7663345 0.81 ITGB3 (0.69) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7669603 0.77 MMP9 (0.76) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL7669251 0.77 MMP9 (0.76) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL8369244 0.76 ITGB3 (0.61) ITGB3ITGA2BITGAVITGB1ITGB5
SCHEMBL10327165 0.75 PTGS1 (0.61) CNR1PTGS1MEN1KMT2APKM
SCHEMBL4824760 0.75 KMT2A (0.61) MMP9MEN1KMT2ALMNA
SCHEMBL6368635 0.74 HTR2B (0.44) ITGB3ITGA2BITGAVITGB1ITGB5

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-6403644-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION AND EXCESS ACTIVITY OF MATRIX METALLOPROTEINASE; FOR EXAMPLE, RHEUMATOID, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US claimed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP claimed
US-7335686-B2 Method and composition for treating osteoporosis COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-02-26 US disclosed
EP-1678124-A1 NOVEL MOLECULES TO DEVELOP DRUG FOR THE TREATMENT OF OSTEOPOROSIS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-07-12 EP disclosed
WO-2005037774-A1 NOVEL MOLECULES TO DEVELOP DRUG FOR THE TREATMENT OF OSTEOPOROSIS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-04-28 WO disclosed
US-20050085537-A1 Method and composition for treating osteoporosis COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-04-21 US disclosed
US-6403644-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES INDUCED BY OVEREXPRESSION AND EXCESS ACTIVITY OF MATRIX METALLOPROTEINASE; FOR EXAMPLE, RHEUMATOID, ARTHROSTEITIS, UNUSUAL BONE RESORPTION, OSTEOPOROSIS, PERIODONTITIS ONO PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-6177466-B1 Sulfonylamino acid derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 2001-01-23 US disclosed
EP-0757037-A2 Sulfonylamino acid derivatives as metalloproteinase inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1997-02-05 EP 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-20050085537-A1 Method and composition for treating osteoporosis SOST, CALCR, MSR1 ITGB3 638/4885ITGA2B 1252/4885ITGAV 2333/4885

“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.