SCHEMBL19656299

SCHEMBL19656299

Cc1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 4/20 0.50
POLB P06746 1/20 0.47
MCHR1 Q99705 3/20 0.47
AKR1C3 P42330 1/20 0.46
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
AKT1 P31749 1/20 0.43
JAK2 O60674 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY1 Q08828 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL21841652 0.87 RXRA (0.46) P2RY14AKR1C3RXRARXRBJAK2
SCHEMBL19656312 0.86 SCN10A (0.47) AKR1C3RXRARXRBJAK2ADCY8
SCHEMBL29727643 0.85 P2RY14 (0.49) P2RY14JAK2TRPV1
SCHEMBL18285297 0.85 P2RY14 (0.49) P2RY14JAK2TRPV1
SCHEMBL18285347 0.85 P2RY14 (0.49) P2RY14MCHR1AKR1C3RXRARXRB
SCHEMBL19656304 0.83 ANO1 (0.51) AKR1C3RXRARXRBJAK2
SCHEMBL15726944 0.82 ADCY8 (0.46) AKT1ADCY8ADCY1
SCHEMBL18285327 0.81 P2RY14 (0.48) P2RY14POLB
SCHEMBL7753604 0.80 TRPV1 (0.59) TRPV1
SCHEMBL21841660 0.80 HDAC1 (0.43) POLBRXRARXRBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526201-B1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-11-18 EP disclosed
EP-3464246-B1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN LA ROCHE (CH) 2020-07-08 EP disclosed
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-02-11 US disclosed
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors HOFFMAN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190233379-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-08-01 US disclosed
US-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-04-25 US disclosed
WO-2018069362-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2018-04-19 WO disclosed
WO-2017202896-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-11-30 WO 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-20190119218-A1 PYRAZOL COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 P2RY14 855/4885POLB 4711/4885MCHR1 1084/4885
US-10457644-B2 Pyrazol compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 P2RY14 855/4885POLB 4711/4885MCHR1 1084/4885
US-10556870-B2 Imidazole compounds as EAAT3 inhibitors SLC1A1, SLC1A3, SLC1A2 P2RY14 2903/4885POLB 4615/4885MCHR1 906/4885
US-20190233379-A1 IMIDAZOLE COMPOUNDS AS EAAT3 INHIBITORS SLC1A1, SLC1A3, SLC1A2 P2RY14 2903/4885POLB 4615/4885MCHR1 906/4885

“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.