SCHEMBL20248013

SCHEMBL20248013

O=C(O)CCCN1C(=O)[C@@H]2Cc3c(n(Cc4ccc(F)cc4)c4cc(Cl)ccc34)CN2C1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 2/20 0.52
▸ HDAC6 Q9UBN7 9/20 0.38
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TBXA2R P21731 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ AKR1B1 P15121 2/20 0.35
▸ AKR1B10 O60218 1/20 0.35
▸ AKR1A1 P14550 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35

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
SCHEMBL20248012 0.89 ENPP2 (0.65) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL20248011 0.84 ENPP2 (0.70) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750334 0.84 ENPP2 (0.72) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL18070808 0.76 ENPP2 (0.61) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750335 0.74 ENPP2 (0.53) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL20248018 0.74 ENPP2 (0.47) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL20248014 0.73 ENPP2 (0.55) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL19996766 0.73 ENPP2 (0.55) ENPP2HDAC6HDAC4HDAC1HDAC2
SCHEMBL16750324 0.73 ENPP2 (0.45) ENPP2HDAC6HDAC1KDM4ETBXA2R
SCHEMBL20206465 0.73 ENPP2 (0.53) ENPP2HDAC6HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ATXCO, INC. 2018-06-14 — — 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-20180162859-A1 TETRACYCLIC AUTOTAXIN INHIBITORS ENPP2, SERPINB1, UACA ENPP2 1/4885HDAC6 195/4885HDAC4 1646/4885

“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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