SCHEMBL6447396

SCHEMBL6447396

CC(C)C(N)C(=O)OCc1ccccc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.49
SLC15A1 P46059 1/20 0.47
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CA2 P00918 6/20 0.44
CA1 P00915 6/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
CA5A P35218 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
SCHEMBL719256 1.00 LMNA (0.52) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL3071 1.00 LMNA (0.52) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL7758366 0.91 LMNA (0.51) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL716770 0.90 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA2
SCHEMBL1670578 0.90 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA2
SCHEMBL719791 0.90 LMNA (0.54) LMNAMAPTCYP2D6MAPK1CA2
SCHEMBL1287362 0.89 LMNA (0.49) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL5917169 0.89 LMNA (0.49) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL1287363 0.89 LMNA (0.49) LMNAMAPTSLC15A1CYP2D6MAPK1
SCHEMBL7759042 0.87 LMNA (0.49) LMNAMAPTCYP2D6MAPK1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108079806-A A kind of polyamide semi-permeable membrane, preparation method and applications 浙江大学 2018-05-29 CN claimed
CN-113214473-B Preparation method and application of low-permeability reservoir water injection well pressure-reducing and injection-increasing polyamide 长江大学 2022-05-17 CN disclosed
CN-113214473-A Preparation method and application of low-permeability reservoir water injection well pressure-reducing and injection-increasing polyamide 长江大学 2021-08-06 CN disclosed
CN-109957384-B Cation-nonionic alcohol ether glucoside type drag reducer 中国石油化工股份有限公司 2021-06-15 CN disclosed
CN-109913193-B Pressure-reducing and injection-increasing agent for water injection well of low-permeability oil reservoir and preparation method thereof 中国石油天然气股份有限公司 2021-03-30 CN disclosed
CN-108079806-A A kind of polyamide semi-permeable membrane, preparation method and applications 浙江大学 2018-05-29 CN disclosed
US-8530506-B2 Process for production of biphenyl derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-09-10 US disclosed
EP-2502919-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2012-09-26 EP disclosed
US-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-13 US disclosed
EP-0839798-B1 Intermediates for preparating non-peptide retroviral protease inhibitors ABBOTT LAB (US) 2005-08-17 EP disclosed
US-5354866-A Treating HIV infections ABBOTT LABORATORIES (US) 1994-10-11 US disclosed
US-5157023-A Includes copper salt NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 1992-10-20 US disclosed
US-5142056-A Human immunodeficiency virus protease inhibitor ABBOTT LABORATORIES (US) 1992-08-25 US disclosed
EP-0495877-A1 METHODS AND COMPOSITIONS FOR HEALING BONE. PROCYTE CORP (US) 1992-07-29 EP disclosed
EP-0486948-A2 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1992-05-27 EP disclosed
EP-0317573-B1 ANTIPYRETIC AND ANTI-INFLAMMATORY PEPTIDES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-04-22 EP disclosed
US-5028592-A Oligopeptides or polypeptides containing the sequence lysine-proline-valine LIPTON, JAMES M. 1991-07-02 US disclosed
WO-1991005797-A1 METHODS AND COMPOSITIONS FOR HEALING BONE PROCYTE CORPORATION (US) 1991-05-02 WO disclosed
EP-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed
EP-0317573-A1 ANTIPYRETIC AND ANTI-INFLAMMATORY PEPTIDES. UNIV TEXAS (US) 1989-05-31 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 (1 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-20120232283-A1 PROCESS FOR PRODUCTION OF BIPHENYL DERIVATIVE AGTR2, AGTR1, ACE LMNA 3522/4885MAPT 3267/4885SLC15A1 3959/4885

“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.