SCHEMBL18248652

SCHEMBL18248652

CCCCCCCCCCCCCC(=O)Nc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.60
DGAT2 Q96PD7 1/20 0.60
HPGD P15428 1/20 0.56
PSMB11 A5LHX3 1/20 0.53
PSMA7 O14818 1/20 0.53
PSMB1 P20618 1/20 0.53
PSMA1 P25786 1/20 0.53
PSMA2 P25787 1/20 0.53
PSMA3 P25788 1/20 0.53
PSMA4 P25789 1/20 0.53
PSMB8 P28062 1/20 0.53
PSMB9 P28065 1/20 0.53
PSMA5 P28066 1/20 0.53
PSMB4 P28070 1/20 0.53
PSMB6 P28072 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB10 P40306 1/20 0.53
PSMB3 P49720 1/20 0.53
PSMB2 P49721 1/20 0.53
PSMA6 P60900 1/20 0.53

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
SCHEMBL27430785 0.99 ENPP2 (0.58) ENPP2DGAT2HPGDPSMB11PSMA7
SCHEMBL18256371 0.91 KLK7 (0.56) HDAC3HDAC1HDAC2HDAC10HDAC11
SCHEMBL18256354 0.90 HPGD (0.54) ENPP2DGAT2HPGDMAPTLMNA
SCHEMBL18256373 0.89 KLK7 (0.57) HPGDMAPTLMNASMN1; SMN2HDAC3
SCHEMBL10682388 0.89 TP53 (0.58) HPGDMAPTLMNASMN1; SMN2HTT
SCHEMBL11237810 0.88 ENPP2 (0.59) ENPP2DGAT2HPGDPSMB11PSMA7
SCHEMBL9524719 0.88 ENPP2 (0.61) ENPP2DGAT2HPGDPSMB11PSMA7
SCHEMBL11467992 0.86 HDAC3 (0.56) MAPTSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL18256355 0.86 HDAC3 (0.56) MAPTSMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL18256332 0.86 ALDH1A1 (0.58) HPGDMAPTLMNASMN1; SMN2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2018-05-24 US disclosed
EP-3307746-A1 AUTOTAXIN INHIBITORS AND USES THEREOF National and Kapodistrian Universty of Athens (GR) 2018-04-18 EP disclosed
WO-2016184561-A1 AUTOTAXIN INHIBITORS AND USES THEREOF NATIONAL AND KAPODISTRIAN UNIVERSITY OF ATHENS (GR) 2016-11-24 WO 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-20180141965-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SPINT2, SERPINB1 ENPP2 1/4885DGAT2 1276/4885HPGD 3308/4885

“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.