SCHEMBL5423901

SCHEMBL5423901

CN(Cc1ccc(N)cc1C(F)(F)F)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.48
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
POLQ O75417 7/20 0.41
HDAC4 P56524 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 1/20 0.40
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
EPHX2 P34913 3/20 0.37
RIPK1 Q13546 1/20 0.35
PPARG P37231 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL545297 0.83 NR1H2 (0.46) NR1H2GAAGLAPOLBTSHR
SCHEMBL545286 0.82 CACNA1G (0.47) NR1H2GAAGLAPOLBTSHR
SCHEMBL30401867 0.81 NR1H2 (0.51) NR1H2GAAGLAPOLBTSHR
SCHEMBL374610 0.81 NR1H2 (0.51) NR1H2GAAGLAPOLBTSHR
Hydrochloric Acid SCHEMBL16054675 0.80 NR1H2 (0.50) NR1H2GAAGLAPOLBTSHR
SCHEMBL18186334 0.78 RIPK1 (0.46) RIPK1ACHE
SCHEMBL19951709 0.78 POLQ (0.57) GAAPOLQSLC6A2SLC6A4EPHX2
SCHEMBL20214362 0.78 NR1H2 (0.41) NR1H2GAAGLAPOLBTSHR
SCHEMBL28546904 0.77 EPHX2 (0.44) TSHRSLC6A4EPHX2ACHE
SCHEMBL4937359 0.77 NR1H2 (0.48) NR1H2GAAGLAPOLBTSHR

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
US-10934275-B2 IRE1 small molecule inhibitors CORNELL UNIVERSITY (US) 2021-03-02 US disclosed
EP-3548476-A1 IRE1 SMALL MOLECULE INHIBITORS Quentis Therapeutics, Inc. (US) 2019-10-09 EP disclosed
US-20190276434-A1 IRE1 Small Molecule Inhibitors QUENTIS THERAPEUTICS, INC. (US) 2019-09-12 US disclosed
WO-2018102751-A1 IRE1 SMALL MOLECULE INHIBITORS QUENTIS THERAPEUTICS, INC. (US) 2018-06-07 WO disclosed
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-10934275-B2 IRE1 small molecule inhibitors XBP1, ERN2, ERN1 NR1H2 2335/4885GAA 1747/4885GLA 2957/4885
US-20190276434-A1 IRE1 Small Molecule Inhibitors XBP1, ERN2, ERN1 NR1H2 2335/4885GAA 1747/4885GLA 2957/4885
US-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 NR1H2 2726/4885GAA 1352/4885GLA 3917/4885

“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.