SCHEMBL3748422

SCHEMBL3748422

CC(C)(C)OC(=O)Nc1nc(C(F)(F)F)c(C(=O)O)s1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LCK P06239 14/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PI4KB Q9UBF8 1/20 0.38

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
SCHEMBL12273225 0.83 TSHR (0.49) LCK
SCHEMBL16753973 0.83 LCK (0.53) LCKCA1CA2PI4KB
SCHEMBL24675957 0.82 LCK (0.46) LCKCA1CA2PI4KB
Hydrochloric Acid SCHEMBL25403795 0.82 LCK (0.52) LCKCA1CA2PI4KB
SCHEMBL538349 0.81 LCK (0.63) LCKCA1CA2PI4KB
SCHEMBL1539932 0.81 P2RY1 (0.33) LCKPI4KB
SCHEMBL17298800 0.81 CA1 (0.43) LCKCA1CA2PI4KB
SCHEMBL12056453 0.80 LCK (0.53) LCKCA1CA2PI4KB
SCHEMBL27459069 0.80 CA1 (0.42) LCKCA1CA2PI4KB
SCHEMBL27459070 0.80 PI4KB (0.42) LCKCA1CA2PI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104844578-B 5 membered heterocyclic amides and relevant compound H.隆德贝克有限公司 2018-06-19 CN disclosed
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 US disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-8404859-B2 Thiazole and thiophene compounds HOFFMANN-LA ROCHE INC. (US) 2013-03-26 US disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
WO-2012123471-A1 THIAZOLE AND THIOPHENE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-20 WO disclosed
US-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS GILLESPIE PAUL (US) 2012-09-20 US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 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 (3 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-20120238569-A1 THIAZOLE AND THIOPHENE COMPOUNDS TSLP, CFTR, TPMT LCK 1321/4885CA1 4539/4885CA2 1691/4885
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 LCK 1870/4885CA1 3499/4885CA2 3303/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 LCK 1870/4885CA1 3499/4885CA2 3303/4885

“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.