SCHEMBL2041816

SCHEMBL2041816

Nc1ccc(CNC(=O)NC(Cc2cccc(O)c2)C(=O)N2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 7/20 0.53
▸ MMP1 P03956 1/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ FPR2 P25090 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ PPIG Q13427 1/20 0.40
▸ ANPEP P15144 1/20 0.39
▸ MMP8 P22894 1/20 0.39

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
SCHEMBL12643863 0.84 PPID (0.46) PPIDFPR2ALDH1A1PPIGANPEP
SCHEMBL12643839 0.79 ATM (0.65) PPIDALDH1A1ANPEP
SCHEMBL2035741 0.77 PPID (0.64) PPIDALDH1A1PPIGANPEP
SCHEMBL14617737 0.71 ATM (0.62) ALDH1A1ANPEP
SCHEMBL2038271 0.70 PPID (0.78) PPIDPPIG
SCHEMBL22339049 0.69 KMT2A (0.52) ALDH1A1
SCHEMBL13505431 0.68 ANPEP (0.63) PPIDMMP3ALDH1A1ANPEP
SCHEMBL16270324 0.68 ATM (0.65) PPIDALDH1A1ANPEP
SCHEMBL13505201 0.68 ANPEP (0.56) PPIDALDH1A1ANPEP
SCHEMBL15832185 0.68 PPID (0.65) PPIDALDH1A1PPIGANPEP

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 7 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-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
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 73/4885MMP1 4530/4885MMP3 3404/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPID 73/4885MMP1 4530/4885MMP3 3404/4885

“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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