SCHEMBL2040860

SCHEMBL2040860

CCOC(=O)C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)NC(=O)NCc1ccc(N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 4/20 0.58
▸ ATM Q13315 3/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ KLKB1 P03952 1/20 0.48
▸ PPIB P23284 2/20 0.47
▸ PPIG Q13427 2/20 0.47
▸ PPIA P62937 1/20 0.45
▸ POLB P06746 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ LCK P06239 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ANPEP P15144 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ F2 P00734 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
SCHEMBL12643651 1.00 PPID (0.58) PPIDATML3MBTL1KLKB1PPIB
SCHEMBL14617754 0.92 ATM (0.64) PPIDATML3MBTL1KLKB1POLB
SCHEMBL15832201 0.89 PPID (0.52) PPIDATML3MBTL1KLKB1PPIB
SCHEMBL2034518 0.89 PPID (0.58) PPIDATML3MBTL1KLKB1PPIB
SCHEMBL14576371 0.84 MAPT (0.51) ATML3MBTL1KLKB1POLBMAPT
SCHEMBL12643655 0.84 MAPT (0.51) ATML3MBTL1KLKB1POLBMAPT
SCHEMBL2035741 0.84 PPID (0.64) PPIDATML3MBTL1KLKB1PPIB
SCHEMBL15832185 0.83 PPID (0.65) PPIDATML3MBTL1KLKB1PPIB
SCHEMBL8409365 0.83 TACR1 (0.58) ATMPOLBMAPTTHRBALDH1A1
SCHEMBL15832199 0.82 ATM (0.57) PPIDATML3MBTL1KLKB1POLB

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 73/4885ATM 4698/4885L3MBTL1 3342/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 PPID 73/4885ATM 4698/4885L3MBTL1 3342/4885

“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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