SCHEMBL2039557

SCHEMBL2039557

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 12/20 0.56
▸ PPID Q08752 3/20 0.49
▸ ALB P02768 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46

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
SCHEMBL2034565 0.96 FOLH1 (0.51) FOLH1PPIDALBALDH1A1LMNA
SCHEMBL12643966 0.86 PPID (0.68) FOLH1PPIDITGB3ITGAV
SCHEMBL12643632 0.86 PPID (0.68) FOLH1PPIDITGB3ITGAV
SCHEMBL16270312 0.83 PPID (0.69) PPID
SCHEMBL12643652 0.83 PPID (0.69) PPID
SCHEMBL12643638 0.80 PPID (0.57) PPIDITGB3ITGAV
SCHEMBL22299972 0.79 ALB (0.54) FOLH1ALBALDH1A1ITGB3ITGAV
SCHEMBL18308654 0.77 FOLH1 (0.51) FOLH1ALBALDH1A1LMNAITGB3
SCHEMBL4600004 0.77 CPB2 (0.53) FOLH1ALDH1A1LMNA
SCHEMBL4599998 0.77 CPB2 (0.53) FOLH1ALDH1A1LMNA

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 FOLH1 3330/4885PPID 73/4885ALB 3955/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 FOLH1 3330/4885PPID 73/4885ALB 3955/4885

“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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