SCHEMBL21341902

SCHEMBL21341902

O=C(O)COCCOCCCCCCCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.40
CES2 O00748 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
EPHX2 P34913 1/20 0.37
PLA2G4B P0C869 3/20 0.36
THRB P10828 2/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
THRA P10827 1/20 0.33
TBXA2R P21731 2/20 0.32
NR1I2 O75469 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL18788310 1.00 CYP2C19 (0.40) CYP2C19CES2CYP4F2CYP4A11EPHX2
SCHEMBL20579041 0.96 EPHX2 (0.39) CYP2C19CES2CYP4F2CYP4A11EPHX2
SCHEMBL7767381 0.96 CES2 (0.42) CYP2C19CES2CYP4F2CYP4A11EPHX2
SCHEMBL19661941 0.94 EPHX2 (0.40) CYP2C19CES2CYP4F2CYP4A11EPHX2
SCHEMBL23405393 0.89 CES2 (0.46) CYP2C19CES2CYP4F2CYP4A11EPHX2
SCHEMBL85679 0.87
SCHEMBL22922164 0.87 CES2 (0.48) CYP2C19CES2CYP4F2CYP4A11EPHX2
SCHEMBL7024841 0.86 CES2 (0.58) CES2EPHX2PLA2G4BTHRBHSD17B10
SCHEMBL20534923 0.84 EPHX2 (0.42) CYP2C19CES2CYP4F2CYP4A11EPHX2
SCHEMBL20535086 0.84 CES2 (0.46) CYP2C19CES2CYP4F2CYP4A11EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250122185-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. 2025-04-17 US disclosed
WO-2023096995-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-06-01 WO disclosed
WO-2023096995-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2023-06-01 WO disclosed
US-11028088-B2 Modulators of BTK proteolysis and methods of use YALE UNIVERSITY (US) 2021-06-08 US disclosed
US-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE UNIV YALE (US) 2020-04-23 US disclosed
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE YALE UNIVERSITY 2019-09-12 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-20200121684-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN CYP2C19 4734/4885CES2 2796/4885CYP4F2 4593/4885
US-20250122185-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED N-(2-CHLORO-6-METHYLPHENYL)-2-((6-(6-MEMBERED HETEROCYCLOALKYL)-2-METHYLPYRIMIDIN-4-YL)AMINO)THIAZOLE-5-CARBOXAMIDE ANALOGUES LCK, SRC, MARCKS CYP2C19 4473/4885CES2 2611/4885CYP4F2 4394/4885
US-11028088-B2 Modulators of BTK proteolysis and methods of use BTK, CBL, CRBN CYP2C19 4734/4885CES2 2796/4885CYP4F2 4593/4885
US-20190276459-A1 MODULATORS OF BTK PROTEOLYSIS AND METHODS OF USE BTK, CBL, CRBN CYP2C19 4734/4885CES2 2796/4885CYP4F2 4593/4885

“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.