SCHEMBL18707101

SCHEMBL18707101

CCC1COc2ccccc2CN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NR1D1 P20393 1/20 0.36

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
SCHEMBL18706897 0.82 MEN1 (0.43) TP53ALDH1A1KMT2AMAPTNR1D1
SCHEMBL18706759 0.82 MEN1 (0.43) TP53ALDH1A1KMT2AMAPTNR1D1
SCHEMBL18706756 0.82 MEN1 (0.43) TP53ALDH1A1KMT2AMAPTNR1D1
SCHEMBL18733781 0.78 DRD2 (0.38) TP53
SCHEMBL21505108 0.71 EP300 (0.44) TP53ALDH1A1THRBHPGDKMT2A
SCHEMBL13091472 0.70 HTT (0.50) TP53ALDH1A1THRBHPGDHTT
SCHEMBL13091474 0.70 FFAR2 (0.46) TP53ALDH1A1THRBHPGDHSD17B3
SCHEMBL17957867 0.69 LTB4R (0.41) ALDH1A1L3MBTL1
SCHEMBL17957864 0.69 LTB4R (0.41) ALDH1A1L3MBTL1
SCHEMBL13091467 0.69 SIGMAR1 (0.36) TP53CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10364256-B2 Biaryl pyrazoles as NRF2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-30 — — US disclosed
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-10-04 — — US disclosed
WO-2017060854-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-04-13 — — 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 (2 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-10364256-B2 Biaryl pyrazoles as NRF2 regulators NFE2L2, KEAP1, NQO1 TP53 1359/4885ALDH1A1 372/4885THRB 1750/4885
US-20180282349-A1 BIARYL PYRAZOLES AS NRF2 REGULATORS NFE2L2, KEAP1, NQO1 TP53 1359/4885ALDH1A1 372/4885THRB 1750/4885

“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.

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