SCHEMBL5898977

SCHEMBL5898977

O=C(NO)c1ccccc1S(=O)(=O)N1CCC(Oc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 11/20 1.00
MMP2 P08253 10/20 1.00
FPR2 P25090 2/20 0.50
PROKR1 Q8TCW9 2/20 0.50
LIPE Q05469 1/20 0.48
EPHX2 P34913 2/20 0.47
MMP12 P39900 1/20 0.46
MMP14 P50281 1/20 0.46
ACLY P53396 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5898960 0.90 MMP13 (1.00) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL8361683 0.87 MMP13 (0.76) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL7074343 0.86 MMP2 (0.76) MMP13MMP2FPR2PROKR1ACLY
SCHEMBL8363030 0.85 MMP13 (0.82) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL8364661 0.84 MMP13 (0.73) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL5898931 0.84 MMP2 (0.76) MMP13MMP2EPHX2ACLYSMN1; SMN2
SCHEMBL5898984 0.84 MMP13 (1.00) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL8365029 0.83 MMP13 (0.70) MMP13MMP2FPR2PROKR1LIPE
SCHEMBL8361679 0.78 MMP13 (0.64) MMP13MMP2FPR2PROKR1EPHX2
SCHEMBL7764828 0.77 MMP13 (0.78) MMP13MMP2FPR2PROKR1LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115632-B1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds G. D. SEARLE & CO. (US) 2006-10-03 US disclosed
US-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds PHARMACIA CORPORATION 2005-04-07 US disclosed
US-6794511-B2 AN ENZYME INHIBITORS OF METALLOPROTEASE; TREATING CONNECTIVE TISSUE DEGRADATION CAUSED BY INFLAMMATION OR TUMOR G. D. SEARLE 2004-09-21 US disclosed
EP-1406602-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS Pharmacia Corporation (US) 2004-04-14 EP disclosed
EP-1406626-A2 SULPHONYL ARYL HYDROXAMATES AND THEIR USE AS MMP INHIBITORS Pharmacia Corporation (US) 2004-04-14 EP disclosed
US-6696449-B2 CONTROL DEGRADATION OF CONENCTING TISSUE; CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION 2004-02-24 US disclosed
US-6683078-B2 REDUCING DEGRADATION OF CONNECTIVE TISSUE DUE TO CANCER OR INFLAMMATION PHARMACIA CORPORATION 2004-01-27 US disclosed
EP-1379501-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-01-14 EP disclosed
US-20030191317-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds G. D. SEARLE & CO., (US) 2003-10-09 US disclosed
US-20030171404-A1 Use of sulfonyl aryl or heteroaryl hydroxamic acids and derivatives thereof as aggrecanase inhibitors PHARMACIA CORPORATION 2003-09-11 US disclosed
US-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors PHARMACIA CORPORATION 2003-04-17 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2003007930-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2002081445-A1 INDOLINONES, SUBSTITUTED IN POSITION 6, AND THEIR USE AS KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-10-17 WO disclosed
EP-1177173-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2002-02-06 EP disclosed
WO-2001085680-A2 SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS PHARMACIA CORPORATION (US) 2001-11-15 WO disclosed
WO-2000069819-A1 HYDROXAMIC ACID DERIVATIVES AS MATRIX METALLOPROTEASE INHIBITORS G.D. SEARLE & CO. (US) 2000-11-23 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 (4 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-20030191317-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds MMP1, MMP2, MMP3 MMP13 5/4885MMP2 2/4885FPR2 2059/4885
US-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds MMP1, MMP2, MMP3 MMP13 5/4885MMP2 2/4885FPR2 2059/4885
US-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors ARSA, MMP1, MMP3 MMP13 8/4885MMP2 7/4885FPR2 2166/4885
US-20030171404-A1 Use of sulfonyl aryl or heteroaryl hydroxamic acids and derivatives thereof as aggrecanase inhibitors ARSA, AADAC, ASPH MMP13 26/4885MMP2 27/4885FPR2 3184/4885

“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.