SCHEMBL4899342

SCHEMBL4899342

Cc1ccc(S(=O)(=O)NC(CS)C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
MMP2 P08253 10/20 0.57
MMP13 P45452 5/20 0.57
MMP3 P08254 3/20 0.57
SLC1A3 P43003 1/20 0.56
SLC1A2 P43004 1/20 0.56
SLC1A1 P43005 1/20 0.56
MMP9 P14780 10/20 0.55
MMP1 P03956 3/20 0.55
MMP7 P09237 2/20 0.55
MMP8 P22894 2/20 0.51
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.51
ADAMTS4 O75173 2/20 0.51
CA12 O43570 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL951767 0.88 TDP1 (0.60) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL951766 0.88 TDP1 (0.60) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL5182398 0.86 MMP13 (0.59) TDP1MMP2MMP13SLC1A3SLC1A2
SCHEMBL3427026 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL3392197 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL1734695 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL3397101 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL5193396 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL35211007 0.86 TDP1 (0.64) TDP1MMP2MMP13MMP3SLC1A3
SCHEMBL13606406 0.85 MMP2 (0.59) MMP2MMP13MMP3SLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080003288-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2008-01-03 US disclosed
US-7204997-B2 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2007-04-17 US disclosed
US-20060142586-A1 Synthesis of 2-alkyl amino acids CHORGHADE MUKUND S 2006-06-29 US disclosed
US-7038073-B2 Synthesis of 2-alkyl amino acids GENZYME CORPORATION (US) 2006-05-02 US disclosed
EP-1529037-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF Genzyme Corporation (US) 2005-05-11 EP disclosed
EP-1478403-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA, INC. (CA) 2004-11-24 EP disclosed
US-20040006224-A1 Synthesis of 2-alkyl amino acids GENZYME CORPORATION 2004-01-08 US disclosed
WO-2003097622-A2 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 2003-11-27 WO disclosed
US-20030152623-A1 Responsive microgel and methods related thereto SUPRATEK PHARMA INC. (CA) 2003-08-14 US disclosed
WO-2003063909-A1 RESPONSIVE MICROGEL AND METHODS RELATED THERETO SUPRATEK PHARMA INC. (US) 2003-08-07 WO disclosed
EP-0910351-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-28 EP disclosed
EP-0907666-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. Searle & Co. (US) 1999-04-14 EP disclosed
WO-1997049736-A2 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 WO disclosed
WO-1997049387-A1 PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS G.D. SEARLE AND CO. (US) 1997-12-31 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 (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-20060142586-A1 Synthesis of 2-alkyl amino acids ASNS, AAAS, FTH1 TDP1 4688/4885MMP2 4419/4885MMP13 4611/4885
US-20040006224-A1 Synthesis of 2-alkyl amino acids ASNS, AAAS, FTH1 TDP1 4688/4885MMP2 4419/4885MMP13 4611/4885

“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.