SCHEMBL396873

SCHEMBL396873

CC(C)(C)c1cc(C(C)(C)C)c(O)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
ALOX15 P16050 6/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 3/20 0.64
CYP1A2 P05177 2/20 0.64
KDM4E B2RXH2 1/20 0.64
ATP2A2 P16615 1/20 0.64
ATP2A3 Q93084 1/20 0.64
TP53 P04637 3/20 0.47
LMNA P02545 2/20 0.47
CYP3A4 P08684 2/20 0.47
HPGD P15428 1/20 0.47
CYP2C9 P11712 3/20 0.46
TYR P14679 2/20 0.46
NR1I2 O75469 1/20 0.46
MIF P14174 1/20 0.46
HTT P42858 1/20 0.46
NFE2L2 Q16236 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TSHR P16473 2/20 0.45

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
SCHEMBL29550866 1.00 ALDH1A1 (0.64) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
Hydrochloric Acid SCHEMBL31065280 0.98 ALDH1A1 (0.61) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
Hydrochloric Acid SCHEMBL16719254 0.98 ALDH1A1 (0.61) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL16626048 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL16626047 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL15504697 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL15504742 0.90 ALDH1A1 (0.52) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL396943 0.87 ALDH1A1 (0.54) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL15504691 0.87 ALDH1A1 (0.48) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2
SCHEMBL15504724 0.86 ALOX15 (0.46) ALDH1A1ALOX15SMN1; SMN2MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464243-B1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL SCIENT IND RES (IN) 2025-02-12 EP claimed
US-11274081-B2 Process for the synthesis of ivacaftor COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2022-03-15 US claimed
US-20200325104-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2020-10-15 US claimed
EP-3464243-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR Council of Scientific and Industrial Research (IN) 2019-04-10 EP claimed
CN-105884628-B The preparation method of 2,4- di-t-butyl -5- amino phenols 上海工程技术大学 2018-06-29 CN claimed
WO-2017208253-A2 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2017-12-07 WO claimed
US-9573902-B2 Process for the preparation of Ivacaftor and its intermediates LAURUS LABS PRIVATE LTD. (IN) 2017-02-21 US claimed
US-20160280654-A1 Solid Forms of Ivacaftor and Processes for the Preparation Thereof THE BANK OF NOVA SCOTIA (CA) 2016-09-29 US claimed
CN-105884628-A Preparation method of 2,4-ditertbutyl-5-aminophenol 上海工程技术大学 2016-08-24 CN claimed
US-20160016909-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES LAURUS LABS LIMITED (IN) 2016-01-21 US claimed
WO-2015070336-A1 SOLID FORMS OF IVACAFTOR AND PROCESSES FOR THE PREPARATION THEREOF APOTEX INC. (CA) 2015-05-21 WO claimed
WO-2014125506-A2 A PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES LAURUS LABS PRIVATE LIMITED (IN) 2014-08-21 WO claimed
US-20260108506-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED 2026-04-23 US disclosed
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMA (US) 2026-04-02 US disclosed
EP-4218754-B1 VANZACAFTOR FOR USE IN THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2026-03-25 EP disclosed
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES VERTEX PHARMA (US) 2026-02-05 US disclosed
WO-2007075946-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-05 WO disclosed
EP-1773816-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2007-04-18 EP disclosed
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders VERTEX PHARMACEUTICALS INCORPORATED 2006-04-06 US disclosed
WO-2006002421-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-01-05 WO 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 (8 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-11274081-B2 Process for the synthesis of ivacaftor IDO1, IDO2, SLC10A2 ALDH1A1 172/4885ALOX15 951/4885SMN1; SMN2 4730/4885
US-20260108506-A1 METHODS OF TREATMENT FOR CYSTIC FIBROSIS CFTR, CLCN2, SCNN1B ALDH1A1 2977/4885ALOX15 3476/4885SMN1; SMN2 2820/4885
US-20260092047-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A3, SLC26A4 ALDH1A1 2326/4885ALOX15 1451/4885SMN1; SMN2 4297/4885
US-20200325104-A1 AN IMPROVED PROCESS FOR THE SYNTHESIS OF IVACAFTOR IDO1, SLC10A2, IDO2 ALDH1A1 206/4885ALOX15 1148/4885SMN1; SMN2 4704/4885
US-20060074075-A1 including cystic fibrosis transmembrane conductance regulator (\"CFTR\"), used for treating genetic disorders; respiratory system disorders CFTR, ABCC4, ABCC2 ALDH1A1 2221/4885ALOX15 3245/4885SMN1; SMN2 4740/4885
US-20160016909-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS INTERMEDIATES SLC10A2, SLC26A4, SLC10A1 ALDH1A1 687/4885ALOX15 3078/4885SMN1; SMN2 3782/4885
US-20260034064-A1 COMPOSITIONS FOR THE TREATMENT OF CFTR-MEDIATED DISEASES CFTR, ABCC2, ABCC8 ALDH1A1 1781/4885ALOX15 4717/4885SMN1; SMN2 1294/4885
US-20160280654-A1 Solid Forms of Ivacaftor and Processes for the Preparation Thereof PCSK9, SLC10A1, VKORC1 ALDH1A1 1390/4885ALOX15 1075/4885SMN1; SMN2 3441/4885

“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.