SCHEMBL383079

SCHEMBL383079

NCC(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.61
MMP9 P14780 9/20 0.61
ADAMTS4 O75173 2/20 0.59
MMP13 P45452 2/20 0.57
MMP8 P22894 1/20 0.57
SLC1A3 P43003 2/20 0.57
SLC1A2 P43004 2/20 0.57
SLC1A1 P43005 2/20 0.57
ITGB3 P05106 3/20 0.56
ITGA2B P08514 3/20 0.56
ADAMTS5 Q9UNA0 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL6500230 1.00 MMP2 (0.61) MMP2MMP9ADAMTS4MMP13MMP8
Hydrochloric Acid SCHEMBL382133 0.98 MMP2 (0.59) MMP2MMP9ADAMTS4MMP13MMP8
Hydrochloric Acid SCHEMBL7336920 0.98 MMP2 (0.59) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL7370003 0.92 MMP2 (0.72) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL8091793 0.85 MMP2 (0.63) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL7375346 0.85 SLC1A3 (0.60) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL14608753 0.85 MMP2 (0.53) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL3861153 0.85 MMP2 (0.53) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL4041728 0.85 TDP1 (0.63) MMP2MMP9ADAMTS4MMP13MMP8
SCHEMBL7337519 0.85 TDP1 (0.63) MMP2MMP9ADAMTS4MMP13MMP8

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120045393-A1 LHRH-II PEPTIDE ANALOGS BRACCO IMAGING SPA (IT) 2012-02-23 US disclosed
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed
CN-1173957-C Substituted piperazones and their therapeutic use L���������鹫˾ 2004-11-03 CN disclosed
US-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US disclosed
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist MEIJI SEIKA KAISHA, LTD. (JP) 2003-02-27 US disclosed
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0901373-B1 Alpha v Beta 3 ANTAGONISTS MERCK & CO INC (US) 2002-11-06 EP disclosed
EP-1250935-A1 REMEDIES FOR REPERFUSION INJURY CONTAINING INTEGRIN ALPHAvBETA3 ANTAGONIST MEIJI SEIKA KAISHA LTD. (JP) 2002-10-23 EP disclosed
EP-1227083-A1 3-AMINOPIPERIDINE DERIVATIVES AS INTEGRIN $g(a)v$g(b)3 ANTAGONISTS MEIJI SEIKA KAISHA LTD. (JP) 2002-07-31 EP disclosed
CN-1314895-A Substituted piperazinones and therapeutic uses thereof LAFON LABOR (FR) 2001-09-26 CN disclosed
EP-0667773-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-09-25 EP disclosed
WO-1996026187-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1996-08-29 WO disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
EP-0667773-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-08-23 EP disclosed
WO-1995017397-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1995-06-29 WO disclosed
US-5416099-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1995-05-16 US disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 WO disclosed
WO-1994008577-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-04-28 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 (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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR MMP2 1294/4885MMP9 920/4885ADAMTS4 1339/4885
US-20030040531-A1 Remedies for reperfusion injury containing integrin alphanubeta 3 antagonist ITGB3, ITGAV, ITGB1 MMP2 951/4885MMP9 1110/4885ADAMTS4 1637/4885
US-20120045393-A1 LHRH-II PEPTIDE ANALOGS LHCGR, GNRHR, FSHR MMP2 3768/4885MMP9 4370/4885ADAMTS4 2691/4885

“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.