SCHEMBL5096495

SCHEMBL5096495

NC1CCCN(S(=O)(=O)c2cccc(Cl)c2)CC1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 2/20 0.60
AKR1C3 P42330 5/20 0.50
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.44
AKR1C1 Q04828 1/20 0.44
CHRM1 P11229 1/20 0.43
MMP2 P08253 1/20 0.43
CHRM4 P08173 1/20 0.43

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
SCHEMBL5105390 0.85 POLB (0.61) KMT2AALDH1A1MEN1AKR1C3MAPT
SCHEMBL27557010 0.85 KMT2A (0.56) KMT2AALDH1A1MEN1AKR1C3MAPT
SCHEMBL5105403 0.84 LMNA (0.55) ALDH1A1AKR1C3MAPTLMNAHTT
SCHEMBL5093207 0.82 PKM (0.47) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL24754517 0.81 AKR1C3 (0.72) KMT2AALDH1A1MEN1AKR1C3MAPT
SCHEMBL5242933 0.81 AKR1C3 (0.72) KMT2AALDH1A1MEN1AKR1C3MAPT
SCHEMBL23498075 0.81 AKR1C3 (0.72) KMT2AALDH1A1MEN1AKR1C3MAPT
SCHEMBL4222112 0.77 MAPT (0.66) KMT2AMEN1AKR1C3MAPTLMNA
SCHEMBL15010078 0.77 ALDH1A1 (1.00) KMT2AALDH1A1MEN1MAPTLMNA
SCHEMBL4741043 0.76 KMT2A (0.58) KMT2AALDH1A1MEN1AKR1C3MAPT

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
US-7405209-B2 e.g. 2-Benzyloxycarbonylamino-4-methyl-pentanoyl)-3-oxo-azepan-4-ylcarbamoyl}carbamic acid benzyl ester; protease inhibitors like cathepsin K; osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION (US) 2008-07-29 US disclosed
US-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation SMITHKLINE BEECHAM CORPORATION 2005-11-17 US disclosed
EP-1384713-A1 4-amino-azepan-3-one derivatives as protease inhibitors SmithKline Beecham Corporation (US) 2004-01-28 EP disclosed
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 US disclosed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US disclosed
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
US-20030144175-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-07-31 US disclosed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US disclosed
US-20020147188-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
CN-1350458-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2002-05-22 CN 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 (7 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-20070259856-A1 Method for Activating Trpv4 Channel Receptors by Agonists TRPV4, TRPV2, TRPV3 KMT2A 4002/4885ALDH1A1 2520/4885MEN1 4626/4885
US-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885ALDH1A1 3651/4885MEN1 2054/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP KMT2A 1833/4885ALDH1A1 1483/4885MEN1 3024/4885
US-20050256104-A1 substituted 1,1,4-1l6-trioxo[1,2]thiazepan-4-ylamide-derived protease inhibitors which inhibit the likes of cathepsin K; treating osteoporosis, osteo- and rheumatoid arthritis and periodontal disease; inhibiting excessive cartilage or matrix degradation CTSK, CTSZ, CTSE KMT2A 2410/4885ALDH1A1 3117/4885MEN1 3396/4885
US-20020147188-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885ALDH1A1 3651/4885MEN1 2054/4885
US-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885ALDH1A1 3651/4885MEN1 2054/4885
US-20030144175-A1 Protease inhibitors CTSK, MMP13, CTSZ KMT2A 2920/4885ALDH1A1 3651/4885MEN1 2054/4885

“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.