SCHEMBL3902199

SCHEMBL3902199

O=S1(=O)CCCCCCN1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL17319677 1.00 ADRA2B (0.31) ADRA2BHRH1DRD3ALDH1A1
SCHEMBL72326 1.00
SCHEMBL21508069 1.00 ADRA2B (0.31) ADRA2BHRH1DRD3ALDH1A1
SCHEMBL73462 0.97
SCHEMBL6353022 0.97
SCHEMBL27172 0.88
SCHEMBL3639333 0.88
SCHEMBL589516 0.78
SCHEMBL20523341 0.76
SCHEMBL7790096 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682506-B1 DIPEPTIDE-ANALOGUE SYNTHESIS BOEHRINGER INGELHEIM PHARMA (US) 2009-12-30 EP claimed
EP-1399431-B1 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2009-02-18 EP claimed
US-7462438-B2 Resist material and pattern formation method using the same PANASONIC CORPORATION (JP) 2008-12-09 US claimed
US-20060263719-A1 Resist material and pattern formation method using the same MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. 2006-11-23 US claimed
CN-1866129-A Resist material and pattern formation method using the same MATSUSHITA ELECTRIC INDUSTRIAL CO LTD (JP) 2006-11-22 CN claimed
EP-1682506-A1 DIPEPTIDE-ANALOGUE SYNTHESIS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-07-26 EP claimed
US-6982263-B2 Nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-01-03 US claimed
US-20050113572-A1 Dipeptide synthesis BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-26 US claimed
WO-2005044799-A1 DIPEPTIDE-ANALOGUE SYNTHESIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-19 WO claimed
US-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 US claimed
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US claimed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US claimed
JP-2003529546-A 2003-10-07 JP claimed
EP-1218372-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMA (US) 2003-07-02 EP claimed
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-26 US claimed
WO-2002100849-A2 NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-19 WO claimed
EP-1218372-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2002-07-03 EP claimed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
WO-1994024106-A1 HERBICIDAL (4-SUBSTITUTED PYRIDYL)-3-CARBINOLS ZENECA LIMITED (GB) 1994-10-27 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20050032772-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ADRA2B 3528/4885HRH1 909/4885DRD3 4419/4885
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ADRA2B 3670/4885HRH1 845/4885DRD3 4421/4885
US-20050113572-A1 Dipeptide synthesis DNPEP, VIP, ASNS ADRA2B 4758/4885HRH1 4165/4885DRD3 4204/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ADRA2B 3670/4885HRH1 845/4885DRD3 4421/4885
US-20030119827-A1 Novel nitriles useful as reversible inhibitors of cysteine proteases NOS1, CTSK, CTSS ADRA2B 2045/4885HRH1 994/4885DRD3 4092/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB ADRA2B 3670/4885HRH1 845/4885DRD3 4421/4885

“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.