SCHEMBL1663424

SCHEMBL1663424

NCC(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.53
TAAR1 Q96RJ0 4/20 0.48
HTR2A P28223 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GABBR2 O75899 2/20 0.46
GABBR1 Q9UBS5 2/20 0.46
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
LMNA P02545 2/20 0.40
HRH1 P35367 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL27732531 1.00 SRC (0.53) SRCTAAR1HTR2AALDH1A1GABBR2
SCHEMBL28043476 0.98 SRC (0.52) SRCTAAR1HTR2AALDH1A1GABBR2
SCHEMBL3398560 0.83 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL249115 0.83 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL3398553 0.83 SRC (0.53) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL14955046 0.83 SRC (0.57) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL14955287 0.83 SRC (0.57) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL5159231 0.81 SRC (0.55) SRCALDH1A1CYP2D6CYP2C19LMNA
SCHEMBL3376828 0.81 TAAR1 (0.50) TAAR1HTR2AGABBR2GABBR1SLC6A2
SCHEMBL27792875 0.80 GABBR2 (0.59) GABBR2GABBR1SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103601654-B A kind of preparation method of taurine substitute HUANGGANG FUCHI PHARMACEUTICAL CO., LTD. (CN) 2015-12-09 CN claimed
CN-106279023-B 3,4, 5-trisubstituted pyrazole compound, preparation method, pharmaceutical composition and application 中国科学院上海药物研究所 2021-06-22 CN disclosed
CN-103601654-B A kind of preparation method of taurine substitute HUANGGANG FUCHI PHARMACEUTICAL CO., LTD. (CN) 2015-12-09 CN disclosed
EP-2932971-A1 KETAMINE FORMULATIONS Otonomy, Inc. (US) 2015-10-21 EP disclosed
US-8771746-B2 Colloidal suspensions comprising a therapeutic agent and squalene OTONOMY, INC. (US) 2014-07-08 US disclosed
CN-101851181-B Preparation method of 1-substituted taurine UNIV BEIJING CHEMICAL 2013-09-18 CN disclosed
CN-101851182-B Salt-free preparation method for substituted taurine UNIV BEIJING CHEMICAL 2013-07-17 CN disclosed
US-20120208848-A1 GACYCLIDINE FORMULATIONS NEUROSYSTEC CORPORATION (US) 2012-08-16 US disclosed
US-20120208851-A1 FORMULATIONS NEUROSYSTEC CORPORATION (US) 2012-08-16 US disclosed
CN-101337914-B Preparation method of taurine and substituted taurine UNIV BEIJING CHEMICAL 2012-04-04 CN disclosed
WO-2010066450-A1 A METHOD FOR PREPARING SULFUR-CONTAINING COMPOUNDS THE ROYAL COLLEGE OF SURGEONS IN IRELAND (IE) 2010-06-17 WO disclosed
WO-2009155421-A1 GACYCLIDINE FORMULATIONS NEUROSYSTEC CORPORATION (US) 2009-12-23 WO disclosed
WO-2009155401-A1 FORMULATIONS NEUROSYSTEC CORPORATION (US) 2009-12-23 WO disclosed
CN-101337914-A Method for preparing taurine and substituted taurine UNIV BEIJING CHEMICAL (CN) 2009-01-07 CN disclosed
CN-101255126-A Preparation of taurine and derivatives thereof UNIV BEIJING (CN) 2008-09-03 CN disclosed
CN-101163481-A Improved gacyclidine formulations NEUROSYSTEC CORP (US) 2008-04-16 CN disclosed
EP-1861104-A2 IMPROVED GACYCLIDINE FORMULATIONS Neurosystec Corporation (US) 2007-12-05 EP disclosed
US-20060205789-A1 Gacyclidine formulations NEUROSYSTEC CORPORATION (US) 2006-09-14 US disclosed
WO-2006096518-A2 IMPROVED GACYCLIDINE FORMULATIONS NEUROSYSTEC CORPORATION (US) 2006-09-14 WO disclosed
US-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US 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-20120208848-A1 GACYCLIDINE FORMULATIONS DCTD, TYMP, TYMS SRC 4677/4885TAAR1 3085/4885HTR2A 1134/4885
US-20060205789-A1 Gacyclidine formulations DCTD, TYMP, TYMS SRC 4677/4885TAAR1 3085/4885HTR2A 1134/4885

“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.