SCHEMBL18044821

SCHEMBL18044821

NC(=O)C1Cc2c(n(Cc3ccc(F)cc3)c3ccccc23)CN1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.56
▸ HDAC6 Q9UBN7 5/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ HDAC10 Q969S8 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ FABP4 P15090 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TBXA2R P21731 2/20 0.42
▸ PTGDR Q13258 2/20 0.42
▸ PTGDR2 Q9Y5Y4 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42

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
SCHEMBL16750193 0.87 ENPP2 (0.49) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL18044836 0.84 ENPP2 (0.57) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL18044837 0.84 ENPP2 (0.57) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL16750276 0.84 ENPP2 (0.59) ENPP2HDAC6HDAC1HDAC10FABP4
SCHEMBL20240371 0.82 ENPP2 (0.50) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL16742434 0.80 ENPP2 (0.52) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL18044835 0.80 ENPP2 (0.52) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL16742433 0.80 ENPP2 (0.52) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL30425869 0.80 ENPP2 (0.52) ENPP2HDAC6HDAC1HDAC3HDAC2
SCHEMBL16750309 0.76 HDAC6 (0.50) ENPP2HDAC6HDAC1HDAC3HDAC2

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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 — — US disclosed
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS DF 2024 IP ACQUISITION, LLC 2016-09-15 — — 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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885HDAC6 195/4885HDAC1 1017/4885
US-20160264575-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885HDAC6 195/4885HDAC1 1017/4885

“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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