SCHEMBL14617725

SCHEMBL14617725

CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 2/20 0.53
▸ ALOX15 P16050 6/20 0.47
▸ ALOX12 P18054 4/20 0.47
▸ HIF1A Q16665 4/20 0.47
▸ HSD17B10 Q99714 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ RECQL P46063 3/20 0.47
▸ TP53 P04637 3/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ ESR1 P03372 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 2/20 0.47
▸ ADORA3 P0DMS8 2/20 0.47
▸ HTR2A P28223 2/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL21834064 1.00 LCK (0.53) LCKALOX15ALOX12HIF1AHSD17B10
SCHEMBL5310702 0.88 LCK (0.67) LCKALOX15ALOX12HIF1AHSD17B10
SCHEMBL15275678 0.87 LCK (0.52) LCKALOX15ALOX12HIF1AHSD17B10
Hydrochloric Acid SCHEMBL21834067 0.87 LCK (0.65) LCKALOX15ALOX12HIF1AHSD17B10
SCHEMBL25100766 0.84 LCK (0.52) LCKALOX15ALOX12HIF1AHSD17B10
SCHEMBL11854802 0.83 LCK (0.55) LCKALOX15ALOX12HIF1AHSD17B10
SCHEMBL8246144 0.83 BACE1 (0.53) ESR1KMT2APTGS2CA1CA2
SCHEMBL973730 0.83 BACE1 (0.53) ESR1KMT2APTGS2CA1CA2
SCHEMBL25100998 0.83 LCK (0.51) LCKALOX15ALOX12HIF1AHSD17B10
SCHEMBL21479020 0.82 LCK (0.48) LCKALOX15ALOX12HIF1AHSD17B10

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-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
US-8802666-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-08-12 — — US disclosed
US-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-06-26 — — US disclosed
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-01-17 — — 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-20140179687-A1 New Inhibitors of Cyclophilins and Uses Thereof FKBP3, FKBP4, FKBP5 LCK 3051/4885ALOX15 2810/4885ALOX12 3270/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 LCK 3051/4885ALOX15 2810/4885ALOX12 3270/4885

“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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