SCHEMBL13342887

SCHEMBL13342887

Cc1cc(Cl)ccc1OC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ KLK5 Q9Y337 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CTSL P07711 2/20 0.45
▸ MAOA P21397 1/20 0.44
▸ ITGA4 P13612 1/20 0.44
▸ ITGB7 P26010 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ SCN4A P35499 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CTSS P25774 2/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43

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
SCHEMBL13368664 0.90 KLK5 (0.47) MAPTNPSR1KLK5MEN1KMT2A
SCHEMBL13342888 0.88 SCN4A (0.48) MAPTMEN1KMT2AITGA4ITGB7
SCHEMBL13342891 0.85 CACNA1B (0.39) MAPTNPSR1KDM4EMEN1KMT2A
SCHEMBL13342795 0.85 EPHX2 (0.55) MAPTNPSR1KDM4EMAPK1KLK5
SCHEMBL23332639 0.82 KLK5 (0.59) MAPTKDM4EKLK5MEN1KMT2A
SCHEMBL28582380 0.82 KLK5 (0.59) MAPTKDM4EKLK5MEN1KMT2A
SCHEMBL13342909 0.81 TDP1 (0.49) MAPTNPSR1KDM4EMEN1KMT2A
SCHEMBL6101971 0.81 MAPT (0.45) MAPTNPSR1KDM4EMAPK1MEN1
SCHEMBL6101968 0.81 MAPT (0.45) MAPTNPSR1KDM4EMAPK1MEN1
SCHEMBL13342871 0.81 PYGL (0.54) SCN4APOLBL3MBTL1

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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-05-06 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — US disclosed
US-7626042-B2 O-substituted hydroxyaryl derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2009-12-01 — — 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-20100113770-A1 O-SUBSTITUTED HYDROXYARYL DERIVATIVES RELA, NFKBIA, NFE2 MAPT 4188/4885NPSR1 1440/4885KDM4E 2219/4885

“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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