SCHEMBL2494518

SCHEMBL2494518

NC(=O)CC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
CTNNB1 P35222 10/20 0.54
WNT3A P56704 10/20 0.54
PTGS1 P23219 1/20 0.47
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 1/20 0.42

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
SCHEMBL3474396 0.82 LMNA (0.56) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL31475594 0.82 LMNA (0.56) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL8489375 0.82 LMNA (0.56) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL1128084 0.81 LMNA (0.70) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL8232789 0.81 CTNNB1 (0.57) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL30089582 0.81 CTNNB1 (0.75) LMNAGAACTNNB1WNT3ACNR2
Ammonia Solution, Strong SCHEMBL28847475 0.80 CTNNB1 (0.55) LMNAGAACTNNB1WNT3APTGS1
Hydrochloric Acid SCHEMBL4500907 0.80 CTNNB1 (0.55) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL19858887 0.79 CTNNB1 (0.58) LMNAGAACTNNB1WNT3APTGS1
SCHEMBL2073272 0.79 CTNNB1 (0.58) LMNAGAACTNNB1WNT3APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102256972-A Thiazolyl-benzimidazoles HOFFMANN LA ROCHE 2011-11-23 CN disclosed
EP-2379543-A2 THIAZOLYL-BENZIMIDAZOLES F. Hoffmann-La Roche AG (CH) 2011-10-26 EP disclosed
US-8044213-B2 Thiazolyl-benzimidazoles HOFFMANN-LA ROCHE INC. (US) 2011-10-25 US disclosed
WO-2010121675-A2 THIAZOLYL-BENZIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 WO disclosed
US-20100160308-A1 Thiazolyl-Benzimidazoles CAI JIANPING 2010-06-24 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 (1 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-20100160308-A1 Thiazolyl-Benzimidazoles CYP3A7, CYP2C19, CYP3A5 LMNA 3399/4885GAA 168/4885CTNNB1 1105/4885

“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.