SCHEMBL19919486

SCHEMBL19919486

CCc1ccc(C(=O)O)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.40
KDM4E B2RXH2 5/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX15 P16050 2/20 0.40
TSHR P16473 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
THPO P40225 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40
ACMSD Q8TDX5 1/20 0.37

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
SCHEMBL25659249 0.83 KCNJ1 (0.41) ALDH1A1KMT2APARP1NNMT
SCHEMBL18667946 0.82 NNMT (0.53) KDM4ETSHRLMNACYP1A2KMT2A
SCHEMBL24787158 0.81 HCAR2 (0.38) HCAR2KDM4EL3MBTL1ALDH1A1ALOX15
SCHEMBL25177345 0.79 KDM4E (0.39) HCAR2KDM4EL3MBTL1ALDH1A1ALOX15
SCHEMBL698657 0.79 KDM4E (0.52) HCAR2KDM4EL3MBTL1ALDH1A1ALOX15
SCHEMBL23529937 0.79 HCAR2 (0.46) HCAR2KDM4EL3MBTL1ALDH1A1ALOX15
SCHEMBL19565803 0.79 MAPK1 (0.44) KDM4EL3MBTL1TSHRMAPTMAPK1
SCHEMBL12844495 0.79 PLK1 (0.43) GABRA1PARP1
SCHEMBL6468421 0.77 MLYCD (0.38) CYP1A2PARP1
SCHEMBL12844126 0.77 CNR1 (0.40) KDM4EL3MBTL1ALDH1A1LMNAGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 HCAR2 378/4885KDM4E 4542/4885L3MBTL1 4265/4885

“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.