SCHEMBL5522232

SCHEMBL5522232

O=[C]CNS(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
KEAP1 Q14145 2/20 0.57
KDM4E B2RXH2 1/20 0.57
PKM P14618 1/20 0.57
GBA1 P04062 2/20 0.52
MAPK1 P28482 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CYP2C19 P33261 1/20 0.50
CA12 O43570 2/20 0.49
CA9 Q16790 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48

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
SCHEMBL1501830 0.82 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL10389233 0.82 ALDH1A1 (0.55) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL3306367 0.82 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2GBA1CA12
SCHEMBL18869651 0.80 CA12 (0.59) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL18869647 0.79 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL10632804 0.79 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL301743 0.78 ALDH1A1 (0.67) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E
SCHEMBL8762748 0.78 CYP19A1 (0.62) ALDH1A1LMNASMN1; SMN2PKMCA12
SCHEMBL7443846 0.78 L3MBTL1 (0.62) ALDH1A1LMNASMN1; SMN2PKMATM
SCHEMBL8349568 0.78 ALDH1A1 (0.79) ALDH1A1LMNASMN1; SMN2KEAP1KDM4E

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US claimed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP claimed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US claimed
US-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors AXYS PHARMACEUTICALS, INC. (US) 2007-10-04 US disclosed
EP-1399146-A4 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARM INC (US) 2006-01-18 EP disclosed
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis AXYS PHARMACEUTICALS, INC. 2004-07-29 US disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1399146-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-24 EP disclosed
WO-2002098406-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed
US-5229386-A Anticoagulants, hypotensive agents, antiallergens, antiinflammatory agents FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-20 US disclosed
US-5145860-A Anticoagulants, vasodilators, antiinflammatory, antiallergens, enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-09-08 US disclosed
EP-0388909-A2 Thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-09-26 EP 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 (3 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-20070232654-A1 Novel Compounds and Compositions as Cathepsin Inhibitors CTSS, CTSB, CTSE ALDH1A1 4046/4885LMNA 1707/4885SMN1; SMN2 3350/4885
US-20040147503-A1 Antiarthritic agents; muscular dystrophy; antiinflammatory agents; antitumor agents; glomerulonephritis CAPNS1, CTSS, CTSV ALDH1A1 3396/4885LMNA 1087/4885SMN1; SMN2 44/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ALDH1A1 4046/4885LMNA 1707/4885SMN1; SMN2 3350/4885

“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.