SCHEMBL13902802

SCHEMBL13902802

CN(C)S(=O)(=O)N1CCSCC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.60
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL11142722 0.82
SCHEMBL14557412 0.79 GAA (0.38) GAAALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL3634814 0.77 GAA (0.85) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL15283000 0.77 GAA (0.95) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL3630393 0.77 GAA (0.85) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL92539 0.76 GAA (0.60) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL3600256 0.75 GAA (0.81) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL9987759 0.75 GAA (0.81) GAAALDH1A1MEN1KMT2AHTT
Hydrochloric Acid SCHEMBL999210 0.74 GAA (0.58) GAAALDH1A1MEN1KMT2AHTT
SCHEMBL8978099 0.73 GAA (0.70) GAAALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols BAYER SCHERING PHARMA AG (DE) 2009-03-26 US disclosed
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
WO-2009021980-A1 α-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-19 WO disclosed
EP-2025669-A1 Alpha-alkyl substituted N-acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-18 EP disclosed
WO-2009016253-A2 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-02-05 WO disclosed
WO-2009013333-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
WO-2009013354-A1 ARYLMETHYLENE SUBSTITUTED N-ACYL-β-AMINO ALCOHOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-29 WO disclosed
EP-2019102-A1 Alkylacetylene substituted Acyltryptophanols Bayer Schering Pharma AG (DE) 2009-01-28 EP disclosed
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS BAYER SCHERING PHARMA AG (DE) 2008-11-20 US disclosed
US-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES BAYER SCHERING PHARMA AG (DE) 2008-11-06 US disclosed
US-20080255117-A1 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-10-16 US disclosed
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-09-11 US disclosed
WO-2008104597-A2 SULFONYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-04 WO disclosed
EP-1964834-A1 Sulphonyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-09-03 EP disclosed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2007017289-A2 ACYLTRYPTOPHANOLS FOR FERTILITY CONTROL BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-02-15 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 (9 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-20080275083-A1 2,3,4,9-TETRAHYDRO-1H-CARBAZOLES FSHR, GNRHR, CYP19A1 GAA 3723/4885ALDH1A1 2820/4885MEN1 219/4885
US-20090069328-A1 ALPHA-ALKYL SUBSTITUTED N-ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 GAA 2368/4885ALDH1A1 3116/4885MEN1 260/4885
US-20080255117-A1 SULFONYLTRYPTOPHANOLS FSHR, NPY1R, GNRHR GAA 3680/4885ALDH1A1 4169/4885MEN1 302/4885
US-20080221195-A1 1,2-DIARYLACETYLENE DERIVATIVES OF ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 GAA 3721/4885ALDH1A1 2416/4885MEN1 188/4885
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT GAA 1903/4885ALDH1A1 4226/4885MEN1 131/4885
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 GAA 3270/4885ALDH1A1 3513/4885MEN1 420/4885
US-20090075987-A1 ALKYLACETYLENE SUBSTITUTED ACYLTRYPTOPHANOLS FSHR, GNRHR, CYP19A1 GAA 2472/4885ALDH1A1 2364/4885MEN1 274/4885
US-20090082372-A1 Arylmethylene Substituted N-Acyl-Beta-Amino Alcohols FSHR, SHBG, NAT1 GAA 3135/4885ALDH1A1 388/4885MEN1 397/4885
US-20080287493-A1 ARYLMETHYLEN SUBSTITUTED N-ACYL-Y-AMINOALCOHOLS FSHR, CYP19A1, GNRHR GAA 2273/4885ALDH1A1 1026/4885MEN1 1640/4885

“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.