SCHEMBL6323332

SCHEMBL6323332

COc1ccc(S(=O)(=O)N2CCCC(O)C2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
ALDH1A1 P00352 5/20 0.65
HTT P42858 1/20 0.64
TSHR P16473 1/20 0.62
KDM4E B2RXH2 3/20 0.61
NPC1 O15118 2/20 0.60
PKM P14618 2/20 0.60
PKLR P30613 1/20 0.60
RAB9A P51151 1/20 0.60
AKR1C3 P42330 2/20 0.58
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.56

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
SCHEMBL8206337 0.92 PKM (0.64) GAAALDH1A1HTTTSHRKDM4E
SCHEMBL6329625 0.92 PKM (0.64) GAAALDH1A1HTTTSHRKDM4E
SCHEMBL5105726 0.84 GAA (0.61) GAAALDH1A1HTTTSHRKDM4E
SCHEMBL12169319 0.84 AKR1C3 (0.62) GAAALDH1A1HTTTSHRKDM4E
Hydrochloric Acid SCHEMBL27557162 0.83 GAA (0.60) GAAALDH1A1HTTTSHRKDM4E
SCHEMBL5243063 0.83 ALDH1A1 (0.74) GAAALDH1A1HTTTSHRKDM4E
SCHEMBL29873927 0.82 ALDH1A1 (0.73) GAAALDH1A1HTTTSHRKDM4E
SCHEMBL5252269 0.81 POLB (0.64) GAAALDH1A1PKMAKR1C3SMN1; SMN2
SCHEMBL19563514 0.81 AKR1C3 (0.62) RAB9AAKR1C3MAPTCYP2C19
SCHEMBL16777110 0.81 AKR1C3 (0.62) ALDH1A1AKR1C3MAPTCYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed
EP-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
CN-1238688-A Thiol sulfonamide metalloprotease inhibitors MONSANTO CO (US) 1999-12-15 CN disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 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 (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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 GAA 679/4885ALDH1A1 986/4885HTT 1823/4885

“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.