SCHEMBL14575948

SCHEMBL14575948

CCC(NC(=O)NCc1ccc(N)cc1)C(=O)N(C)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPIB P23284 4/20 0.62
▸ PPID Q08752 5/20 0.54
▸ ATM Q13315 2/20 0.48
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ CTSK P43235 1/20 0.47
▸ ANPEP P15144 4/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ PPIG Q13427 2/20 0.45
▸ MAPT P10636 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ PPIA P62937 1/20 0.43
▸ KLKB1 P03952 1/20 0.41

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
SCHEMBL14576521 0.79 PPID (0.53) PPIBPPIDATMANPEPPOLB
SCHEMBL12643950 0.77 PPIB (1.00) PPIBPPIDPPIGPPIA
SCHEMBL14575949 0.74 PPIB (0.50) PPIBPPIDCTSLCTSBCTSS
SCHEMBL13505431 0.73 ANPEP (0.63) PPIBPPIDATMANPEPL3MBTL1
SCHEMBL12643755 0.72 SMN1; SMN2 (0.68) PPIBPPIDPPIGMAPTLMNA
SCHEMBL21376455 0.71 PPID (0.47) PPIBPPIDANPEPPPIGALDH1A1
Aniline SCHEMBL27840986 0.71 PPIB (0.60) PPIBPPIDPPIGPPIA
SCHEMBL2785366 0.71 F7 (0.52) ATMCTSLCTSBCTSSCTSK
SCHEMBL13505761 0.71 PPID (0.52) PPIBPPIDATMANPEPL3MBTL1
SCHEMBL2040765 0.70 PPID (1.00) PPIBPPIDATMCTSLCTSB

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 5 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

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 PPIB 51/4885PPID 73/4885ATM 4698/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPIB 51/4885PPID 73/4885ATM 4698/4885

“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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