SCHEMBL320187

SCHEMBL320187

Cc1ccc(S(=O)(=O)OCCCc2c[nH]c3ccccc23)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.52
KCNA5 P22460 1/20 0.50
KCNH2 Q12809 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SIRT1 Q96EB6 1/20 0.48
SLC6A4 P31645 1/20 0.48
ALOX12 P18054 1/20 0.47
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47
HTR1A P08908 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7281690 0.96 NR3C1 (0.51) NR3C1KCNA5KCNH2CYP1A2CYP3A4
SCHEMBL9208031 0.90 CYP19A1 (0.56) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL9213281 0.84 HTR2A (0.48) NR3C1SLC6A4HTR1A
SCHEMBL4351623 0.84 MPO (0.54) SLC6A4HTR1A
SCHEMBL9215791 0.84 SLC6A4 (0.52) SLC6A4HTR1AMAPTTDP1
SCHEMBL16433094 0.83 MAPT (0.57) CYP1A2CYP2D6CYP2C9SMN1; SMN2SLC6A4
SCHEMBL10846889 0.82 NR3C1 (0.49) NR3C1KCNA5KCNH2SMN1; SMN2SIRT1
SCHEMBL5338731 0.82 SLC6A4 (0.55) KCNA5KCNH2CYP1A2CYP3A4CYP2D6
SCHEMBL18926552 0.81 PSMD10 (0.45) CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL16433322 0.81 SLC6A4 (0.55) SLC6A4HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3027607-B1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO LTD (CN) 2020-08-26 EP disclosed
US-20180179188-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-06-28 US disclosed
US-9714232-B2 Substituted piperazine compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-07-25 US disclosed
US-9598401-B2 Substituted heteroaryl compounds and methods of use thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-03-21 US disclosed
WO-2017044742-A1 NOVEL CYP34A-SPECIFIC INHIBITORS AND METHODS OF USING SAME THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-16 WO disclosed
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
US-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-25 US disclosed
EP-3027607-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2016-06-08 EP disclosed
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-24 US disclosed
US-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
WO-2004089942-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS INC. (US) 2004-10-21 WO disclosed
EP-1432420-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS Acadia Pharmaceuticals Inc. (US) 2004-06-30 EP disclosed
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS INC. 2004-04-08 US disclosed
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents ACADIA PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003028650-A2 BENZIMIDAZOLIDINONE DERIVATIVES AS MUSCARINIC AGENTS ACADIA PHARMACEUTICALS, INC. (US) 2003-04-10 WO disclosed
US-5434154-A Serotonin agonists BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-18 US disclosed
EP-0464558-B1 Antimigraine alkoxypyrimidine derivatives BRISTOL MYERS SQUIBB CO (US) 1994-12-28 EP disclosed
US-5300506-A Indole-3-alkyl derivatives of alkoxypyrimidinylpiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0548813-A1 Antimigraine 4-pyrimidinyl and pyridinyl derivatives of indol-3yl-alkyl piperazines Bristol-Myers Squibb Company (US) 1993-06-30 EP disclosed
EP-0464558-A1 Antimigraine alkoxypyrimidine derivatives Bristol-Myers Squibb Company (US) 1992-01-08 EP 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 (5 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-20160244429-A1 Substituted Piperazine Compounds And Methods Of Use Thereof HTR5A, HTR2A, HTR2C NR3C1 360/4885KCNA5 1338/4885KCNH2 1297/4885
US-20030100545-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 NR3C1 592/4885KCNA5 120/4885KCNH2 316/4885
US-20160083370-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HTR3B, HTR3A, HTR2C NR3C1 229/4885KCNA5 2123/4885KCNH2 3205/4885
US-20180179188-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE AND USE THEREOF HTR5A, HTR2C, TPH1 NR3C1 752/4885KCNA5 702/4885KCNH2 1768/4885
US-20040067931-A1 Benzimidazolidinone derivatives as muscarinic agents CHRM4, CHRM5, CHRM1 NR3C1 592/4885KCNA5 120/4885KCNH2 316/4885

“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.