SCHEMBL18329014

SCHEMBL18329014

CC(C)(C)OC(=O)NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3cc(F)cc(F)c3)c2o1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.57
▸ NAMPT P43490 1/20 0.57
▸ PAK1 Q13153 1/20 0.57
▸ NPC1L1 Q9UHC9 11/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ LIPC P11150 1/20 0.34
▸ GRM2 Q14416 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ HPN P05981 1/20 0.33
▸ CNR2 P34972 1/20 0.32

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
SCHEMBL16379647 0.95 PAK4 (0.63) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL23365761 0.94 PAK4 (0.53) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL16379764 0.93 PAK4 (0.55) PAK4NAMPTPAK1NPC1L1
SCHEMBL18329009 0.92 PAK4 (0.54) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL29999793 0.92 PAK4 (0.53) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL16380107 0.92 PAK4 (0.54) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL16380008 0.92 PAK4 (0.53) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL16379812 0.91 PAK4 (0.55) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL16379646 0.90 PAK4 (0.55) PAK4NAMPTPAK1NPC1L1HDAC4
SCHEMBL18329042 0.90 PAK4 (0.55) PAK4NAMPTPAK1NPC1L1HDAC4

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-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2021-12-30 — — US disclosed
US-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2016-12-22 — — 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 (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-20160368904-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2007/4885NAMPT 1663/4885PAK1 3040/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK PAK4 2260/4885NAMPT 1782/4885PAK1 3233/4885

“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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