SCHEMBL1418052

SCHEMBL1418052

Cc1ccc(S(=O)(=O)OCCc2cccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
KMT2A Q03164 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPM8 Q7Z2W7 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3982583 0.86 TAAR1 (0.42) NPC1SMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL13992225 0.86 MEN1 (0.44) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL13992214 0.86 MEN1 (0.47) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL21803201 0.85 RAB9A (0.49) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL13316992 0.83 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TSHRHTTATM
SCHEMBL13298070 0.82 THRB (0.46) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL1682780 0.78 L3MBTL1 (0.44) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL1161703 0.78 TAAR1 (0.46) MEN1LMNAKMT2ANPC1RAB9A
SCHEMBL241884 0.77 CA1 (0.52) LMNAKMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL13992219 0.76 CA12 (0.39) ALDH1A1CYP3A4CYP2D6CYP2C9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862372-B Synthesis of clopidogrel intermediate (S) -2- (2-thiophenoethylamine) - (2-chlorophenyl) -methyl acetate 江西川奇药业有限公司 2024-01-12 CN claimed
CN-110862372-A Synthesis of clopidogrel intermediate (S) -2- (2-thiophene ethylamino) - (2-chlorphenyl) -methyl acetate 江西川奇药业有限公司 2020-03-06 CN claimed
EP-2585428-B1 PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES UCB BIOPHARMA SPRL (BE) 2017-05-10 EP claimed
CN-103509037-B A kind of clopidogrel and the preparation method of intermediate thereof 山东鲁药制药有限公司 2016-08-31 CN claimed
CN-103119015-B Method for resolving nitrogen substituted (S) -5-alkoxy-2-aminotetralin derivatives UCB PHARMA GMBH (DE) 2016-01-27 CN claimed
CN-103044444-B Synthesis method of high-purity I-type (+)-(S)-clopidogrel hydrogen sulfate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2015-04-15 CN claimed
US-8981121-B2 Process for the preparation of nitrogen substituted aminotetralins derivatives UCB PHARMA GMBH (DE) 2015-03-17 US claimed
CN-103509037-A Preparation method of clopidogrel and intermediate thereof SHANDONG LUYAO PHARMACEUTICAL CO LTD 2014-01-15 CN claimed
EP-2585428-A2 PROCESSES FOR THE RESOLUTION OF NITROGEN SUBSTITUTED (S)-5-ALKOXY-2-AMINOTETRALIN DERIVATIVES UCB Pharma GmbH (DE) 2013-05-01 EP claimed
US-20130102794-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives UCB PHARMA GMBH (DE) 2013-04-25 US claimed
CN-101560202-B Preparation method of 2- (2-thienyl) ethanol p-toluenesulfonate Suzhou lixin pharmaceutical co ltd 2012-05-09 CN claimed
WO-2011161255-A2 NOVEL PROCESS FOR THE PREPARATION OF NITROGEN SUBSTITUTED AMINOTETRALINS DERIVATIVES UCB PHARMA GMBH (DE) 2011-12-29 WO claimed
US-20110313176-A1 PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2011-12-22 US claimed
WO-2010073124-A2 PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF ACTAVIS GROUP PTC EHF (IS) 2010-07-01 WO claimed
CN-101560202-A Preparation method of 2-(2-thienyl) ethyl-4-methylbenzenesulfonate SUZHOU LIXIN PHARMACEUTICAL CO (CN) 2009-10-21 CN claimed
WO-2009056791-A1 PROCESSES FOR PREPARING PHARMACEUTICAL COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2009-05-07 WO claimed
EP-1232152-B1 IMPROVED PROCESS FOR PREPARING NITROGEN-SUBSTITUTED AMINOTETRALINS ADERIS PHARMACEUTICALS INC (US) 2004-02-04 EP claimed
EP-1232152-A1 IMPROVED PROCESS FOR PREPARING NITROGEN-SUBSTITUTED AMINOTETRALINS Aderis Pharmaceuticals, Inc. (US) 2002-08-21 EP claimed
US-6372920-B1 ALKYLATING 2-AMINOTETRALIN IN PRESENCE OF BASE SELECTED FROM ALKALI METAL CARBONATES AND BICARBONATES, WHEREIN AMOUNT OF BASE IS LESS THAN ABOUT 1.9-FOLD MOLAR EXCESS WITH RESPECT TO AMOUNT OF 2-AMINOTETRALIN ADERIS PHARMACEUTICALS, INC. 2002-04-16 US claimed
WO-2001038321-A1 IMPROVED PROCESS FOR PREPARING NITROGEN-SUBSTITUTED AMINOTETRALINS ADERIS PHARMACEUTICALS, INC. (US) 2001-05-31 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 (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-20130102794-A1 Novel Process for the Preparation of Nitrogen Substituted Aminotetralins Derivatives AANAT, AADAT, ASNS MEN1 1547/4885LMNA 2631/4885KMT2A 2007/4885
US-20110313176-A1 PROCESSES FOR PREPARING HIGHLY PURE ROTIGOTINE OR A PHARMACEUTICALLY ACCEPTABLE SALT THEREOF MC4R, AVPR2, MC5R MEN1 536/4885LMNA 4108/4885KMT2A 1247/4885

“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.