SCHEMBL18833348

SCHEMBL18833348

COc1cc(I)c(CC(NC(=O)OC(C)(C)C)C(=O)O)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
ACE P12821 2/20 0.48
ITGA4 P13612 2/20 0.47
ITGB7 P26010 2/20 0.47
SCN9A Q15858 1/20 0.46
CTSS P25774 5/20 0.43
CTSK P43235 5/20 0.43
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
TACR1 P25103 1/20 0.43
PPARA Q07869 5/20 0.43
PPARG P37231 4/20 0.43
PTPN1 P18031 1/20 0.42
PPARD Q03181 2/20 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
SCHEMBL17101171 1.00 MTNR1A (0.51) MTNR1AMTNR1BACEITGA4ITGB7
SCHEMBL584495 0.88 SCN9A (0.47) MTNR1AMTNR1BACEITGA4ITGB7
SCHEMBL31327597 0.84 AAK1 (0.48) MTNR1AMTNR1BACEITGA4ITGB7
SCHEMBL7281071 0.83 ACE (0.48) ACEITGA4ITGB7SCN9ACTSS
SCHEMBL26136049 0.81 ACE (0.52) ACESCN9ACTSSCTSKITGB3
SCHEMBL29286180 0.81 ACE (0.52) ACESCN9ACTSSCTSKITGB3
SCHEMBL29286179 0.81 ACE (0.52) ACESCN9ACTSSCTSKITGB3
SCHEMBL24981983 0.81 ACE (0.49) ACEITGA4ITGB7SCN9ACTSS
SCHEMBL3553357 0.81 ACE (0.49) ACEITGA4ITGB7SCN9ACTSS
SCHEMBL21243764 0.81 ACE (0.49) ACEITGA4ITGB7SCN9ACTSS

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-10287220-B2 Fluorination method OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-05-14 US disclosed
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 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-10287220-B2 Fluorination method F13B, PPARG, PGC MTNR1A 2789/4885MTNR1B 1635/4885ACE 4274/4885
US-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC MTNR1A 2939/4885MTNR1B 1711/4885ACE 4285/4885

“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.