SCHEMBL4015584

SCHEMBL4015584

CCCc1ccc(CC(=O)O)cc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
HPGD P15428 6/20 0.50
HSD17B10 Q99714 6/20 0.50
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
GAA P10253 4/20 0.44
TSHR P16473 3/20 0.44
NFKB1 P19838 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
HIF1A Q16665 2/20 0.44
RGS12 O14924 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.44
GNAI1 P63096 1/20 0.44
PMP22 Q01453 1/20 0.44
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44

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
SCHEMBL30648518 0.85 HPGD (0.46) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL16413297 0.84 GAA (0.52) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL8781871 0.80 SKP2 (0.46) HSD17B10MAPTGAAGABRA1GABRA5
SCHEMBL5494631 0.80 TSHR (0.41) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL16396701 0.79 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL6559232 0.79 HPGD (0.61) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL10583583 0.79 SLC6A2 (0.40) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL5201334 0.78 GAA (0.43) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL9778558 0.78 GAA (0.47) ALDH1A1HPGDHSD17B10KDM4EMAPT
SCHEMBL12737467 0.78 TAAR1 (0.40) MAPTGABRA1GABRA5GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC 2009-10-29 US disclosed
WO-2009089042-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2009-07-16 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 (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-20090270418-A1 PYRAZOLE PYRAZINE AMINE COMPOUNDS AS KINASE INHIBITORS, COMPOSITIONS THEREOF AND METHODS OF TREATMENT THEREWITH MAP3K1, MAP3K15, MAP3K5 ALDH1A1 4322/4885HPGD 1834/4885HSD17B10 4303/4885

“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.