SCHEMBL20201856

SCHEMBL20201856

CC(C)(C)OC(=O)N1CCN(CCN2C(=O)C3Cc4c(n(Cc5ccc(F)cc5)c5ccccc45)CN3C2=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.68
▸ HDAC6 Q9UBN7 13/20 0.57
▸ HDAC1 Q13547 4/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ CHRM2 P08172 1/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ CHRM3 P20309 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PLK1 P53350 1/20 0.40

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
SCHEMBL20201855 0.91 ENPP2 (0.67) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750310 0.86 ENPP2 (0.79) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL18044833 0.85 ENPP2 (0.72) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750302 0.85 ENPP2 (0.74) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL18269181 0.84 ENPP2 (0.72) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750219 0.82 ENPP2 (0.77) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750211 0.82 ENPP2 (0.82) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750182 0.81 ENPP2 (0.81) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750178 0.81 ENPP2 (1.00) ENPP2HDAC6HDAC1HDAC4HDAC2
SCHEMBL16750306 0.81 ENPP2 (1.00) ENPP2HDAC6HDAC1HDAC4HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200215034-A1 AUTOTAXIN INHIBITORS AND USES THEREOF INSOLVENCY SERVICES GROUP, INC. 2020-07-09 — — US disclosed
US-10632104-B2 Autotaxin inhibitors and uses thereof SABRE THERAPEUTICS LLC (US) 2020-04-28 — — US disclosed
US-20180147185-A1 AUTOTAXIN INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-05-31 — — US disclosed
US-20180147185-A1 AUTOTAXIN INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-05-31 — — 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 (3 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-20180147185-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 ENPP2 1/4885HDAC6 448/4885HDAC1 2293/4885
US-10632104-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 ENPP2 1/4885HDAC6 448/4885HDAC1 2293/4885
US-20200215034-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 ENPP2 1/4885HDAC6 448/4885HDAC1 2293/4885

“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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