SCHEMBL6857780

SCHEMBL6857780

CS(=O)(=O)O[C@H]1C[C@@H](C(=O)O)N(S(C)(=O)=O)C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.35
ANPEP P15144 2/20 0.35
ATM Q13315 1/20 0.35
HRH3 Q9Y5N1 1/20 0.33
CA12 O43570 1/20 0.32
MMP9 P14780 1/20 0.32
VDR P11473 1/20 0.30

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
SCHEMBL5896932 0.81 ATM (0.36) MMP2ANPEPATM
SCHEMBL9736868 0.80 ALDH1A1 (0.39) MMP2ANPEPCA12
SCHEMBL1251161 0.80 ATM (0.42) MMP2ANPEPATM
SCHEMBL21682443 0.80 ATM (0.42) MMP2ANPEPATM
SCHEMBL1251167 0.80 ATM (0.42) MMP2ANPEPATM
SCHEMBL1251163 0.80 ATM (0.42) MMP2ANPEPATM
SCHEMBL6917231 0.80 ATM (0.42) MMP2ANPEPATM
SCHEMBL5397387 0.80 CA12 (0.47) MMP2ANPEPCA12MMP9
SCHEMBL5397377 0.80 CA12 (0.47) MMP2ANPEPCA12MMP9
SCHEMBL5397381 0.80 CA12 (0.47) MMP2ANPEPCA12MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790860-B2 USEFUL AS INHIBITORS OF METALLOPROTEASES, E.G. ZINC PROTEASES; EFFECTIVE IN TREATING DISEASE STATES ASSOCIATED WITH VASOCONSTRICTION HOFFMANN-LA ROCHE INC. 2004-09-14 US disclosed
US-20030199569-A1 Pyrrolidine derivatives AEBI JOHANNES (CH) 2003-10-23 US disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020040048-A1 PYRROLIDINE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2002-04-04 US disclosed
US-5475117-A Process for optically active 2-alkyl-2,5-diazabicyclo[2.2.1]heptanes PFIZER, INC. (US) 1995-12-12 US disclosed
US-5371235-A Process for optically active 2-alkyl-2,5-diazabicyclo[2.2.1]heptanes PFIZER INC. (US) 1994-12-06 US disclosed
US-5157125-A Optically active 2-alkyl-2,5-diazabicyclo[2.2.1]heptanes PFIZER INC. (US) 1992-10-20 US disclosed
US-5095121-A Process for optically active 2-alkyl-2,5-diazabicyclo(2.2.1)heptanes PFIZER INC (US) 1992-03-10 US disclosed
US-5013839-A Process for optically active 2-alkyl-2,5-diazabicyclo(2.2.1) heptanes PFIZER INC. (US) 1991-05-07 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-20030199569-A1 Pyrrolidine derivatives PREP, PEPD, MMP3 MMP2 58/4885ANPEP 51/4885ATM 4665/4885
US-20020040048-A1 PYRROLIDINE COMPOUNDS PREP, PEPD, MMP3 MMP2 45/4885ANPEP 59/4885ATM 4809/4885

“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.