SCHEMBL2036189

SCHEMBL2036189

CC(=O)NCCCC(NC(=O)NCc1ccc(NC(=O)OC(C)(C)C)cc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.48
▸ CA2 P00918 2/20 0.48
▸ GAA P10253 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ITGB3 P05106 2/20 0.45
▸ ITGAV P06756 2/20 0.45
▸ CTSK P43235 2/20 0.45
▸ FOLH1 Q04609 6/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MMP1 P03956 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
SCHEMBL12643650 0.89 MAPT (0.48) CA1CA2GAAKDM4EGLA
SCHEMBL2036911 0.87 ITGB3 (0.58) KDM4EMAPTTDP1ITGB3ITGAV
SCHEMBL2034565 0.80 FOLH1 (0.51) ITGB3ITGAVFOLH1ALDH1A1LMNA
SCHEMBL12643659 0.80 MAPT (0.49) MAPTTDP1PTPN1MEN1KMT2A
SCHEMBL19882163 0.79 ITGB3 (0.49) GAAKDM4EGLAMAPTPAX8
SCHEMBL16523129 0.79 CYP17A1 (0.56) GAAMAPTTDP1PTPN1KMT2A
SCHEMBL6379515 0.78 FOLH1 (0.57) CA1CA2GAAMAPTTDP1
SCHEMBL1373880 0.78 MEN1 (0.59) GAATDP1ITGB3CTSKFOLH1
SCHEMBL1373885 0.78 MEN1 (0.59) GAATDP1ITGB3CTSKFOLH1
SCHEMBL15834848 0.77 PPARG (0.47) GAAKDM4EMAPTTDP1ITGB3

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 CA1 1460/4885CA2 1523/4885GAA 3558/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 CA1 1460/4885CA2 1523/4885GAA 3558/4885

“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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