SCHEMBL6561033

SCHEMBL6561033

CCOC(=O)C1=CCN(C)N1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAOA P21397 1/20 0.39
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA7 P43166 3/20 0.36
CA9 Q16790 3/20 0.36
CA14 Q9ULX7 3/20 0.36
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.36

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
SCHEMBL7961272 0.81 TSHR (0.39) LMNACYP1A2CYP3A4MAOAGAA
SCHEMBL597650 0.76 TSHR (0.35) LMNACYP1A2CYP3A4MAOAGAA
SCHEMBL14108876 0.71 TSHR (0.36) LMNAKDM4ETSHRALDH1A1HPGD
SCHEMBL4263380 0.70 MEN1 (0.39) LMNACYP1A2CYP3A4MAOAGAA
SCHEMBL14195937 0.66 CYP1A2 (0.48) LMNACYP1A2TSHR
SCHEMBL1971079 0.66 CYP2C9 (0.42) LMNACYP1A2KDM4ETSHRALDH1A1
Hydrochloric Acid SCHEMBL10419893 0.64 CYP2C9 (0.41) LMNACYP1A2KDM4EALDH1A1HSD17B10
SCHEMBL1160300 0.63 CYP1A2 (0.50) LMNACYP1A2CYP3A4MAOAGAA
SCHEMBL11438318 0.63 TSHR (0.38) LMNACYP1A2CYP3A4MAOAKDM4E
SCHEMBL19204714 0.62 CYP1A2 (0.38) LMNACYP1A2CYP3A4MAOAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147102-B1 HETEROARYL ACETYLENIC SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS WYETH CORP (US) 2004-03-17 EP disclosed
EP-0934300-B1 THE PREPARATION AND USE OF ORTHO-SULFONAMIDO HETEROARYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE AND TACE INHIBITORS AMERICAN CYANAMID CO (US) 2002-12-18 EP disclosed
US-20020188132-A1 Heteroaryl acetylenic sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors WYETH HOLDINGS CORPORATION 2002-12-12 US disclosed
US-20010051614-A1 Preparation and use of ortho-sulfonamido heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors LEVIN JEREMY IAN (US) 2001-12-13 US disclosed
EP-1147102-A2 HETEROARYL ACETYLENIC SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
US-6200996-B1 ARTHRITIS; BONE, GASTROINTESTINAL DISORDERS; CROHN*S DISEASE, MULTIPLE SCLEROSIS AMERICAN CYANAMID COMPANY 2001-03-13 US disclosed
US-6197795-B1 ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS; WOUND HEALING AGENTS AMERICAN CYANAMID COMPANY 2001-03-06 US disclosed
US-6162814-A Preparation and use of ortho-sulfonamido heteroaryl hydroxamic acids as matrix metaloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2000-12-19 US disclosed
US-6162821-A Preparation and use of ortho-sulfonamide heteroarly hydroxamic acids as matrix metalloproteinase and TACE inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2000-12-19 US disclosed
WO-2000044740-A2 HETEROARYL ACETYLENIC SULFONAMIDE AND PHOSPHINIC ACID AMIDE HYDROXAMIC ACID TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-5962481-A ANTIARTHRITIC AGENTS; ANTITUMOR AGENTS; WOUND HEALING AGENTS;ANTIULCER AGENTS; ORAL DISEASES; CENTRAL NERVOUS SYTEM DISORDERS; ANTIINFLAMMATORY AGENTS; CONGESTIVE HEART FAILURE;VISION DISORDERS AMERICAN CYANAMID COMPANY (US) 1999-10-05 US 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 (2 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-20010051614-A1 Preparation and use of ortho-sulfonamido heteroaryl hydroxamic acids as matrix metalloproteinase and TACE inhibitors MMP1, MMP12, MMP26 LMNA 3281/4885CYP1A2 2546/4885CYP3A4 2559/4885
US-20020188132-A1 Heteroaryl acetylenic sulfonamide and phosphinic acid amide hydroxamic acid TACE inhibitors TNF, SI, MMP12 LMNA 3620/4885CYP1A2 3017/4885CYP3A4 3354/4885

“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.