SCHEMBL18317517

SCHEMBL18317517

CN(C(=O)O)c1cc2cc(-c3ccc(C(=O)N4CC(F)(F)C4)cc3)cc(Cl)c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 3/20 0.38
▸ CDK8 P49336 3/20 0.38
▸ LIPC P11150 2/20 0.35
▸ LIPG Q9Y5X9 2/20 0.35
▸ CECR2 Q9BXF3 1/20 0.35
▸ PDE3A Q14432 2/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ LTB4R Q15722 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ HSP90AA1 P07900 2/20 0.33
▸ HSP90AB1 P08238 2/20 0.33
▸ RORC P51449 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ PDE4A P27815 1/20 0.33

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
SCHEMBL18317521 0.90 PAK4 (0.39) PDE3AJAK2JAK1JAK3PDE5A
SCHEMBL19066850 0.87 ERN1 (0.38) CCNCCDK8LIPCLIPGCECR2
SCHEMBL18317752 0.85 HPGD (0.46) —
SCHEMBL18317523 0.85 POLB (0.49) PDE3AJAK2PDE5APDE4APDE1A
SCHEMBL18317578 0.83 CCNC (0.38) CCNCCDK8LIPCLIPGCECR2
SCHEMBL18317695 0.83 NAMPT (0.36) PTGDR2
SCHEMBL16345913 0.80 PAK4 (0.39) CCNCCDK8LIPCHSP90AA1HSP90AB1
SCHEMBL16345438 0.79 PAK4 (0.42) —
SCHEMBL16345078 0.79 FASN (0.38) —
SCHEMBL18317856 0.79 P2RX7 (0.33) DPP4DPP7

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 7 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-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2021-05-18 — — US disclosed
US-20200102292-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2020-04-02 — — US disclosed
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2019-09-03 — — US disclosed
US-20180319779-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. 2018-11-08 — — US disclosed
US-9856241-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-01-02 — — 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 (6 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 CCNC 2607/4885CDK8 777/4885LIPC 4703/4885
US-20180319779-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK CCNC 2482/4885CDK8 647/4885LIPC 4774/4885
US-11008309-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK CCNC 2482/4885CDK8 647/4885LIPC 4774/4885
US-10399963-B2 Substituted benzofuranyl and benzoxazolyl compounds and uses thereof BCL6, MALT1, BTK CCNC 2482/4885CDK8 647/4885LIPC 4774/4885
US-20210403459-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK CCNC 2482/4885CDK8 647/4885LIPC 4774/4885
US-20200102292-A1 SUBSTITUTED BENZOFURANYL AND BENZOXAZOLYL COMPOUNDS AND USES THEREOF BCL6, MALT1, BTK CCNC 2482/4885CDK8 647/4885LIPC 4774/4885

“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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