SCHEMBL7993318

SCHEMBL7993318

CC1(C)OC(=O)C(C(=O)c2ccccc2F)C(=O)O1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.51
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
GAA P10253 1/20 0.41
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HCAR2 Q8TDS4 2/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HCAR3 P49019 1/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 2/20 0.36

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
SCHEMBL3573417 0.83 BACE1 (0.49) BACE1ALDH1A1RAB9ANPC1POLB
SCHEMBL13516021 0.82 BACE1 (0.49) BACE1CES2CES1HCAR2MEN1
SCHEMBL13516362 0.80 BACE1 (0.47) BACE1HCAR2KMT2AHCAR3
SCHEMBL6546743 0.79 BACE1 (0.46) BACE1GAAALDH1A1ALOX15RAB9A
SCHEMBL8323836 0.77 BACE1 (0.65) BACE1ALDH1A1ALOX15SMN1; SMN2RAB9A
SCHEMBL18618230 0.77 ALDH1A1 (0.45) BACE1ALDH1A1MAPT
SCHEMBL3562787 0.76 BACE1 (0.46) BACE1ALDH1A1HCAR2HCAR3
SCHEMBL31048975 0.75 BACE1 (0.42) BACE1ALDH1A1SMN1; SMN2HCAR2RAB9A
SCHEMBL13516448 0.74 BACE1 (0.70) BACE1CES2CES1ALDH1A1HCAR2
SCHEMBL13516583 0.73 BACE1 (0.56) BACE1CES2CES1GAASMN1; SMN2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414386-B2 Process for the preparation of ivacaftor and its intermediates LAURUS LABS LIMITED (IN) 2022-08-16 US disclosed
US-20200407323-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS ITERMEDIATES LAURUS LABS LIMITED (IN) 2020-12-31 US disclosed
US-10815202-B2 Process for the preparation of ivacaftor LAURUS LABS LIMITED (IN) 2020-10-27 US disclosed
US-20190345111-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR Laurus Labs Ltd. (IN) 2019-11-14 US disclosed
WO-2017037672-A1 PROCESSES FOR THE PREPARATION OF IVACAFTOR LAURUS LABS PRIVATE LIMITED (IN) 2017-03-09 WO disclosed
EP-2799437-B1 QUINOLINE AND CINNOLINE DERIVATIVES AND USE THEREOF UNIV SHENYANG PHARMACEUTICAL (CN) 2016-09-14 EP disclosed
US-9382232-B2 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-07-05 US disclosed
US-9382232-B2 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2016-07-05 US disclosed
US-20140364431-A1 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2014-12-11 US disclosed
US-20140364431-A1 Quinoline and cinnoline derivatives and their applications SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2014-12-11 US disclosed
EP-2799437-A1 QUINOLINE AND CINNOLINE COMPOUNDS AND USE THEREOF Shenyang Pharmaceutical University (CN) 2014-11-05 EP disclosed
WO-2001017977-A1 1,3,5-TRIAZINES AS HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-03-15 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 (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-20200407323-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR AND ITS ITERMEDIATES ACVR1, SLC10A2, CYP4A11 BACE1 3252/4885CES2 3184/4885CES1 1133/4885
US-20190345111-A1 PROCESS FOR THE PREPARATION OF IVACAFTOR F5, CYP4A11, ACVR1 BACE1 3071/4885CES2 3042/4885CES1 1080/4885
US-20140364431-A1 Quinoline and cinnoline derivatives and their applications MET, CHEK1, KIT BACE1 1776/4885CES2 87/4885CES1 263/4885
US-11414386-B2 Process for the preparation of ivacaftor and its intermediates ACVR1, SLC10A2, CYP4X1 BACE1 2795/4885CES2 2322/4885CES1 735/4885
US-10815202-B2 Process for the preparation of ivacaftor F5, CYP4A11, ACVR1 BACE1 3071/4885CES2 3042/4885CES1 1080/4885

“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.