SCHEMBL2040765

SCHEMBL2040765

CCOC(=O)C(CC(C)C)NC(=O)NCc1ccc(N)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 5/20 1.00
▸ ANPEP P15144 5/20 0.58
▸ PPIG Q13427 2/20 0.57
▸ PPIB P23284 1/20 0.57
▸ PPIA P62937 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ ATM Q13315 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45

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
SCHEMBL12643631 0.89 PPID (0.80) PPIDANPEPPPIGPPIBPPIA
SCHEMBL2034626 0.84 PPID (0.73) PPIDANPEPPPIGPPIBPPIA
SCHEMBL2039871 0.82 PPID (1.00) PPIDANPEPPPIGPPIBPPIA
SCHEMBL16270312 0.80 PPID (0.69) PPIDANPEPPPIGPPIBPPIA
SCHEMBL12643652 0.80 PPID (0.69) PPIDANPEPPPIGPPIBPPIA
SCHEMBL12643966 0.79 PPID (0.68) PPIDANPEPPPIGPPIBPPIA
SCHEMBL12643632 0.79 PPID (0.68) PPIDANPEPPPIGPPIBPPIA
SCHEMBL15832185 0.79 PPID (0.65) PPIDANPEPPPIGPPIBPPIA
SCHEMBL2035741 0.78 PPID (0.64) PPIDANPEPPPIGPPIBPPIA
SCHEMBL5869443 0.76 ATM (0.75) PPIDANPEPALDH1A1LMNAATM

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 12 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
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
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

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 PPID 73/4885ANPEP 2701/4885PPIG 28/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPID 73/4885ANPEP 2701/4885PPIG 28/4885

“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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