SCHEMBL4041728

SCHEMBL4041728

Cc1ccc(S(=O)(=O)NC(CN)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
SLC1A3 P43003 1/20 0.60
SLC1A2 P43004 1/20 0.60
SLC1A1 P43005 1/20 0.60
MMP2 P08253 12/20 0.57
MMP13 P45452 5/20 0.57
MMP3 P08254 3/20 0.57
MMP9 P14780 12/20 0.55
MMP1 P03956 3/20 0.55
MMP7 P09237 2/20 0.55
MMP8 P22894 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ADAMTS4 O75173 2/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL7337519 1.00 TDP1 (0.63) TDP1SLC1A3SLC1A2SLC1A1MMP2
Hydrochloric Acid SCHEMBL7649402 0.98 TDP1 (0.61) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL5193396 0.86 TDP1 (0.64) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL3427026 0.86 TDP1 (0.64) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL3397101 0.86 TDP1 (0.64) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL1734695 0.86 TDP1 (0.64) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL3392197 0.86 TDP1 (0.64) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL35211007 0.86 TDP1 (0.64) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL158952 0.85 MMP9 (0.70) TDP1SLC1A3SLC1A2SLC1A1MMP2
SCHEMBL158951 0.85 MMP9 (0.70) TDP1SLC1A3SLC1A2SLC1A1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678157-A4 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS INC (US) 2009-03-18 EP disclosed
US-7456288-B2 Heterocyclic compounds and methods of making and using thereof REDDY US THERAPEUTICS, INC. (US) 2008-11-25 US disclosed
CN-1882560-A Heterocyclic compounds and methods of making and using the same REDDY US THERAPEUTICS INC (US) 2006-12-20 CN disclosed
EP-1678157-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF Reddy US Therapeutics, Inc. (US) 2006-07-12 EP disclosed
EP-1044001-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-07-06 EP disclosed
EP-1040111-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-06-22 EP disclosed
US-20050119269-A1 Heterocyclic compounds and methods of making and using thereof DR. REDDY'S LABORATORIES LTD. (IN) 2005-06-02 US disclosed
WO-2005042712-A2 HETEROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THEREOF REDDY US THERAPEUTICS, INC. (US) 2005-05-12 WO disclosed
WO-2005040163-A1 HETEROCYCLIC COMPOUNDS THAT BLOCK THE EFFECTS OF ADVANCED GLYCATION END PRODUCTS (AGE) DR. REDDY'S LABORATORIES LTD (IN) 2005-05-06 WO disclosed
EP-1040098-B1 INTEGRIN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2005-04-27 EP disclosed
US-6048861-A OSTEOPOROSIS; BONE DISORDERS; CARDIOVASCULAR DISORDERS; ANTIINFLAMMATROY AGENTS; WOUND HEALING AGENTS MERCK & CO., INC. (US) 2000-04-11 US disclosed
US-6040311-A TREATING BONE DISORDERS FOR PREVENTING OSTEOPOROSIS OR INHIBITING BONE RESORPTION IN A MAMMAL; TREATING TUMOR GROWTH IN A MAMMAL MERCK & CO., INC. (US) 2000-03-21 US disclosed
WO-1999038014-A1 ASSESSING RISK FOR INTEGRIN ANTAGONIST/AGONIST MEDIATED DISEASES DU PONT PHARMACEUTICALS COMPANY (US) 1999-07-29 WO disclosed
EP-0866705-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-03-03 EP disclosed
US-5852045-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-22 US disclosed
US-5821241-A INHIBIT BINDING OF FIBRINOGEN TO BLOOD PLATELETS, INHIBIT AGGREGATION OF BLOOD PLATELETS, PREVENT OR TREAT THROMBUS OR EMBOLUS FORMATION MERCK & CO., INC. (US) 1998-10-13 US disclosed
EP-0866705-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1998-09-30 EP disclosed
WO-1997014417-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1997-04-24 WO disclosed
WO-1994018981-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-09-01 WO disclosed
EP-0009728-A1 Hemostatic and platelet increasing agent containing alpha, beta-diaminopropionic acid and derivatives thereof Hokuriku Pharmaceutical Co.,Ltd (JP) 1980-04-16 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-20050119269-A1 Heterocyclic compounds and methods of making and using thereof PYGM, MYLK, HMOX1 TDP1 2750/4885SLC1A3 4212/4885SLC1A2 4090/4885

“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.