SCHEMBL3835113

SCHEMBL3835113

Nc1cccc(S(=O)(=O)Nc2cccc(C(CC(=O)O)NS(=O)(=O)c3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.57
POLB P06746 1/20 0.57
ITGB3 P05106 6/20 0.54
ITGAV P06756 6/20 0.54
EEF2K O00418 3/20 0.52
ATM Q13315 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
PKM P14618 1/20 0.45
OGT O15294 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
SCHEMBL7144205 0.89 EEF2K (0.64) POLBITGB3ITGAVEEF2KATM
SCHEMBL3834077 0.87 ALDH1A1 (0.50) HTR6POLBITGB3ITGAVATM
SCHEMBL7408745 0.82 ITGB3 (0.67) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL23795546 0.81 POLB (0.47) HTR6POLBITGB3ITGAVALDH1A1
SCHEMBL31026026 0.81 POLB (0.47) HTR6POLBITGB3ITGAVALDH1A1
SCHEMBL23795545 0.81 POLB (0.47) HTR6POLBITGB3ITGAVALDH1A1
SCHEMBL6366667 0.81 ITGB3 (0.60) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL14501730 0.81 ITGB3 (0.53) ITGB3ITGAVATML3MBTL1ALDH1A1
SCHEMBL7786198 0.80 ITGB3 (0.49) ITGB3ITGAVEEF2KATML3MBTL1
SCHEMBL7790169 0.79 ITGB3 (0.49) ITGB3ITGAVATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-7220824-B1 Integrin-mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
US-20060189544-A1 Integrin-Mediated drug targeting BAYER AKTIENGESELLSCHAFT (DE) 2006-08-24 US disclosed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP disclosed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 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-20060189544-A1 Integrin-Mediated drug targeting ITGAV, ITGB3, ITGB1 HTR6 3134/4885POLB 3650/4885ITGB3 2/4885

“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.