SCHEMBL12643860

SCHEMBL12643860

CC(C)(C)OC(=O)Nc1ccc(CNC(=O)NC(Cc2cccc(OCc3ccccc3)c2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.56
▸ TDP1 Q9NUW8 4/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.49
▸ MAPK1 P28482 2/20 0.48
▸ ATM Q13315 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PSMB1 P20618 3/20 0.45
▸ PSMB9 P28065 2/20 0.45
▸ PSMB5 P28074 2/20 0.45
▸ PSMB10 P40306 2/20 0.45
▸ PSMB2 P49721 2/20 0.45
▸ PSMB8 P28062 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ LTA4H P09960 1/20 0.43
▸ MME P08473 1/20 0.43

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
SCHEMBL2053665 0.95 MAPT (0.51) MAPTTDP1KDM4ENPSR1MAPK1
SCHEMBL15834863 0.86 MAPT (0.48) MAPTTDP1KDM4ENPSR1MAPK1
SCHEMBL12643655 0.85 MAPT (0.51) MAPTTDP1KDM4ENPSR1MAPK1
SCHEMBL15834853 0.85 MAPT (0.53) MAPTTDP1KDM4ENPSR1MAPK1
SCHEMBL14576371 0.85 MAPT (0.51) MAPTTDP1KDM4ENPSR1MAPK1
SCHEMBL14617757 0.85 ATM (0.65) MAPTATML3MBTL1POLBMEN1
SCHEMBL20905733 0.84 PTPN1 (0.55) PTPN1MMEACECPA1ACE2
SCHEMBL7709696 0.84 PTPN1 (0.55) PTPN1MMEACECPA1ACE2
SCHEMBL12643861 0.81 ITGB3 (0.52) MAPTTDP1KDM4EATML3MBTL1
SCHEMBL14617704 0.80 ATM (0.64) ATML3MBTL1POLBMMEACE

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 9 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-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-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
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 MAPT 3890/4885TDP1 4285/4885KDM4E 3906/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 MAPT 3890/4885TDP1 4285/4885KDM4E 3906/4885

“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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