SCHEMBL2036911

SCHEMBL2036911

CC(C)(C)OC(=O)Nc1ccc(CNC(=O)NC(CCCNC(=O)OCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 3/20 0.58
▸ ITGAV P06756 3/20 0.58
▸ FOLH1 Q04609 2/20 0.56
▸ MAPT P10636 3/20 0.51
▸ CPB1 P15086 1/20 0.51
▸ CPB2 Q96IY4 1/20 0.51
▸ KLK7 P49862 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48
▸ CTSK P43235 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 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
SCHEMBL19882163 0.92 ITGB3 (0.49) ITGB3ITGAVFOLH1MAPTKLK7
SCHEMBL2036189 0.87 CA1 (0.48) ITGB3ITGAVFOLH1MAPTCTSK
SCHEMBL2369249 0.85 MAPT (0.64) ITGB3ITGAVFOLH1MAPTCPB1
SCHEMBL1374918 0.85 MAPT (0.64) ITGB3ITGAVFOLH1MAPTCPB1
SCHEMBL1374913 0.85 MAPT (0.64) ITGB3ITGAVFOLH1MAPTCPB1
SCHEMBL918813 0.83 SYK (0.60) ITGB3ITGAVFOLH1MAPTCPB1
SCHEMBL1021938 0.83 SYK (0.60) ITGB3ITGAVFOLH1MAPTCPB1
SCHEMBL4958981 0.83 SYK (0.60) ITGB3ITGAVFOLH1MAPTCPB1
SCHEMBL3182565 0.82 NAMPT (0.57) MAPTTDP1KDM4EMAPK1
SCHEMBL2334319 0.82 MAPT (0.68) ITGB3FOLH1MAPTCPB1CPB2

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 ITGB3 2748/4885ITGAV 3844/4885FOLH1 3330/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 ITGB3 2748/4885ITGAV 3844/4885FOLH1 3330/4885

“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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