SCHEMBL2042322

SCHEMBL2042322

CCOC(=O)CNC(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
KDM4E B2RXH2 1/20 0.63
HSD17B10 Q99714 3/20 0.61
HPGD P15428 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
PPID Q08752 3/20 0.60
TSHR P16473 1/20 0.60
PPIB P23284 1/20 0.60
PPIA P62937 1/20 0.60
PPIG Q13427 1/20 0.60
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
USP2 O75604 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
ALOX15 P16050 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
TP53 P04637 1/20 0.55

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
SCHEMBL6324177 0.81 MEN1 (0.55) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL15832174 0.79 PPID (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL7986608 0.79 CYP3A4 (0.61) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL13853513 0.79 SMN1; SMN2 (0.69) ALDH1A1HSD17B10HPGDSMN1; SMN2KMT2A
SCHEMBL28718762 0.79 ALDH2 (0.67) ALDH1A1HPGDKMT2AMEN1TSHR
SCHEMBL2042897 0.78 PPID (0.67) ALDH1A1PPIDPPIBPPIAPPIG
SCHEMBL2039365 0.78 PPID (0.70) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL14617663 0.77 PPID (0.78) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2
SCHEMBL2937877 0.77 SMN1; SMN2 (0.70) ALDH1A1HSD17B10HPGDSMN1; SMN2KMT2A
SCHEMBL3186208 0.77 CYP3A4 (0.58) ALDH1A1KDM4EHSD17B10HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516387-B1 INHIBITORS OF CYCLOPHILINS FOR USE IN THE PREVENTION AND/OR THE TREATMENT OF VIRAL PATHOLOGIES OR INFECTIONS INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) 2018-02-21 EP disclosed
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-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-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-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-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-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-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
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
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
EP-2516387-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2012-10-31 EP disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 WO disclosed
WO-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 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 (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 ALDH1A1 3684/4885KDM4E 3906/4885HSD17B10 1863/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 ALDH1A1 3684/4885KDM4E 3906/4885HSD17B10 1863/4885

“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.