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Sugi Predict / Compounds / SCHEMBL7210439

SCHEMBL7210439

SCHEMBL7210439

CCCCOc1ccc(S(=O)(=O)CC(O)(CSc2ccccn2)C(=O)NO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 7/20 0.46
▸ MMP2 P08253 8/20 0.42
▸ MMP13 P45452 8/20 0.42
▸ ADAMTS4 O75173 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ ADAMTS5 Q9UNA0 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MMP3 P08254 3/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL7216903 0.86 MMP1 (0.49) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7212142 0.86 MMP1 (0.44) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7215336 0.85 HPGD (0.45) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7216647 0.83 MMP1 (0.54) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7212014 0.81 MMP1 (0.44) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7216935 0.81 MMP1 (0.47) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7215344 0.80 MMP1 (0.44) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7210476 0.80 MMP1 (0.44) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7210765 0.79 MMP1 (0.41) MMP1MMP2MMP13ADAMTS4MMP14
SCHEMBL7210803 0.79 TSHR (0.53) MMP1MMP2MMP13ADAMTS4MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 — — US claimed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 — — EP claimed
US-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY 2003-09-04 — — US disclosed
EP-1037868-B1 $g(a)-HYDROXY, -AMINO, AND HALO DERIVATIVES OF $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2003-02-05 — — EP disclosed
US-6437177-B1 DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION; ARTHRITIS, OSTEOPOROSIS, PERIODONTITIS, GINGIVITIS, CORNEAL, DERMAL, OR GASTRIC ULCERATION, AND ASTHMA; 2-HYDROXY-2-(PHENYLTHIO) METHYL-3-(4-BUTOXYBENZENESULFONYL)PROPIONIC ACID PHARMACIA & UPJOHN COMPANY 2002-08-20 — — 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 (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-20030166687-A1 ALPHA-HYDROXY,-AMINO AND -FLUORO DERIVATIVES OF BETA-SULPHONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS MMP1, MMP8, HRH3 MMP1 1/4885MMP2 8/4885MMP13 5/4885

“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.