SCHEMBL19919699

SCHEMBL19919699

CC(C)c1nc(C(=O)O)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ACMSD Q8TDX5 1/20 0.42
▸ KMO O15229 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MGAM O43451 1/20 0.39
▸ GPR35 Q9HC97 1/20 0.38
▸ IGFBP3 P17936 1/20 0.38
▸ FABP3 P05413 1/20 0.38
▸ FABP4 P15090 1/20 0.38
▸ FABP5 Q01469 1/20 0.38
▸ HCAR3 P49019 1/20 0.37
▸ HCAR2 Q8TDS4 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ RAB9A P51151 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
SCHEMBL19768940 0.84 LMNA (0.41) L3MBTL1KMT2ALMNA
SCHEMBL22747309 0.81 KDM4E (0.42) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL19913925 0.79 KDM4E (0.44) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL19913924 0.78 KDM4E (0.42) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL3632915 0.74 KDM4E (0.50) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL12857451 0.74 XDH (0.45) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL27882830 0.72 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL10857110 0.72 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL8481059 0.72 KDM4E (0.48) KDM4ETDP1ALOX15TSHRACMSD
SCHEMBL15077057 0.71 CRHBP (0.39) L3MBTL1KMT2ALMNAMEN1MAPT

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 KDM4E 4542/4885TDP1 1336/4885ALOX15 572/4885

“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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