SCHEMBL40250

SCHEMBL40250

O=C(O)CCc1ccc(S(=O)(=O)Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.68
CA2 P00918 1/20 0.68
ALDH1A1 P00352 4/20 0.63
NPSR1 Q6W5P4 1/20 0.57
FFAR1 O14842 7/20 0.57
MAPT P10636 1/20 0.55
KEAP1 Q14145 1/20 0.55
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
IDO1 P14902 1/20 0.50
TBXAS1 P24557 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
CYP26B1 Q9NR63 1/20 0.48

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
SCHEMBL27643053 0.89 SMN1; SMN2 (0.58) CA1CA2ALDH1A1NPSR1FFAR1
SCHEMBL7603233 0.86 CA1 (0.50) CA1CA2ALDH1A1NPSR1MAPT
SCHEMBL9845455 0.82 CA1 (0.70) CA1CA2ALDH1A1NPSR1FFAR1
SCHEMBL11582128 0.81 ALDH1A1 (0.52) CA1CA2ALDH1A1
SCHEMBL69746 0.81 FFAR1 (0.81) CA1CA2FFAR1KEAP1LMNA
Lithium Ion SCHEMBL28445902 0.81 CA1 (0.68) CA1CA2ALDH1A1NPSR1FFAR1
SCHEMBL19207331 0.81 CA1 (0.68) CA1CA2ALDH1A1NPSR1FFAR1
SCHEMBL1429021 0.81 CA1 (0.68) CA1CA2ALDH1A1NPSR1FFAR1
SCHEMBL4964212 0.81 CA2 (1.00) CA1CA2ALDH1A1NPSR1FFAR1
SCHEMBL164742 0.80 CA2 (0.54) CA2ALDH1A1FFAR1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104130247-B Human T 2 R bitterness receptors and application thereof 塞诺米克斯公司 2018-06-01 CN disclosed
EP-2590656-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2017-11-15 EP disclosed
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2017-02-09 US disclosed
EP-2591354-B1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX INC (US) 2016-09-07 EP disclosed
US-9301951-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2016-04-05 US disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT ARDELYX, INC. 2015-06-18 US disclosed
US-8916569-B2 Compounds and methods for inhibiting phosphate transport ARDELYX, INC. (US) 2014-12-23 US disclosed
CN-104130247-A Human T2R bitter taste receptors and the use thereof SENOMYX INC 2014-11-05 CN disclosed
CN-101828111-B Human T2R bitter taste receptor and uses thereof SENOMYX INC 2014-07-23 CN disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 US disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO disclosed
EP-0330050-B1 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 2000-08-23 EP disclosed
US-6002007-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays DADE BEHRING MARBURG GMBH (DE) 1999-12-14 US disclosed
US-5879953-A Special chemiluminescent acridine derivatives and the use thereof in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1999-03-09 US disclosed
US-5783696-A Special chemiluminescent acridine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed
EP-0602524-A1 Chemiluminescence marked sequences and their use in sequence testing HOECHST AKTIENGESELLSCHAFT (DE) 1994-06-22 EP disclosed
EP-0330050-A2 Special chemiluminescent acridine derivatives and their use in luminescence immunoassays HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed
US-4493885-A DIFFUSION TRANSFER FUJI PHOTO FILM CO., LTD. (JP) 1985-01-15 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 (4 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CA1 643/4885CA2 320/4885ALDH1A1 397/4885
US-20150164876-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CA1 708/4885CA2 203/4885ALDH1A1 2892/4885
US-20170037010-A1 COMPOUNDS AND METHODS FOR INHIBITING PHOSPHATE TRANSPORT SLC34A2, SLC34A1, SLC10A2 CA1 708/4885CA2 203/4885ALDH1A1 2892/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CA1 1642/4885CA2 1378/4885ALDH1A1 1650/4885

“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.