SCHEMBL20915037

SCHEMBL20915037

CCOC(=O)c1c[nH]nc1OCCC1CC1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TBXAS1 P24557 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
PDK2 Q15119 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CNR2 P34972 1/20 0.33
JAK2 O60674 2/20 0.33
JAK3 P52333 2/20 0.33

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
SCHEMBL20915035 0.84
SCHEMBL23009924 0.81 TDP1 (0.48) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL23009977 0.78 TSHR (0.41) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL20029633 0.76 KDM4E (0.39) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL3261638 0.76 TSHR (0.52) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL29192762 0.75 KMT2A (0.36) TSHRKDM4EKMT2AALDH1A1MEN1
SCHEMBL23009920 0.75 TSHR (0.38) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL21804494 0.75 TSHR (0.49) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL17786779 0.75 TSHR (0.49) TSHRKDM4EKMT2AALDH1A1HSD17B10
SCHEMBL21805554 0.74 TSHR (0.47) TSHRKDM4EKMT2AALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3697774-B1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARMA (US) 2025-09-24 EP disclosed
CN-111757874-B Methods for preparing modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-08 CN disclosed
CN-109803962-B Modulators of cystic fibrosis transmembrane conductance regulator proteins, and pharmaceutical compositions 弗特克斯药品有限公司 2022-04-29 CN disclosed
US-11155533-B2 Crystalline forms and compositions of CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-26 US disclosed
US-20200392109-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-12-17 US disclosed
CN-111757874-A Method for producing modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2020-10-09 CN disclosed
EP-3697774-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2020-08-26 EP disclosed
US-10654829-B2 Crystalline forms and compositions of CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-05-19 US disclosed
WO-2019079760-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-04-25 WO disclosed
US-20190119253-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS VERTEX PHARAMCEUTICALS INCORPORATED (US) 2019-04-25 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-11155533-B2 Crystalline forms and compositions of CFTR modulators CFTR, SLC26A4, ABCC4 TSHR 3141/4885KDM4E 4781/4885KMT2A 4795/4885
US-20190119253-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS CFTR, SLC26A4, ABCC4 TSHR 3212/4885KDM4E 4599/4885KMT2A 4657/4885
US-20200392109-A1 CRYSTALLINE FORMS AND COMPOSITIONS OF CFTR MODULATORS CFTR, SLC26A4, ABCC4 TSHR 3141/4885KDM4E 4781/4885KMT2A 4795/4885
US-10654829-B2 Crystalline forms and compositions of CFTR modulators CFTR, SLC26A4, ABCC4 TSHR 3141/4885KDM4E 4781/4885KMT2A 4795/4885

“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.