SCHEMBL2039692

SCHEMBL2039692

COC(=O)C(Cc1ccccc1)NC(=O)NCc1ccc(N)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.72
L3MBTL1 Q9Y468 2/20 0.68
POLB P06746 1/20 0.59
LCK P06239 1/20 0.54
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.51
ALDH1A1 P00352 3/20 0.50
ANPEP P15144 1/20 0.50
KLKB1 P03952 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
NAMPT P43490 1/20 0.49
GAA P10253 1/20 0.49
CYP2C19 P33261 2/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL2039689 1.00 ATM (0.72) ATML3MBTL1POLBLCKTSHR
SCHEMBL12643962 0.91 ATM (0.59) ATML3MBTL1POLBTSHRALDH1A1
SCHEMBL10493865 0.84 ATM (1.00) ATML3MBTL1POLBLCKTSHR
SCHEMBL2561481 0.84 ATM (1.00) ATML3MBTL1POLBLCKTSHR
SCHEMBL15623796 0.81 ATM (0.87) ATML3MBTL1POLBLCKTSHR
SCHEMBL3154102 0.79 MASP2 (0.51) ALDH1A1KLKB1NAMPTCYP3A4
SCHEMBL18766762 0.78 ATM (0.68) ATML3MBTL1POLBLCKTSHR
SCHEMBL16269979 0.78 NAMPT (0.49) ATML3MBTL1MAPTNAMPTCYP2C19
SCHEMBL1906788 0.75 KLKB1 (0.49) KMT2AALDH1A1ANPEPKLKB1NAMPT
SCHEMBL12643843 0.75 ATM (0.64) ATML3MBTL1POLBLCKMAPT

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 ATM 4698/4885L3MBTL1 3342/4885POLB 4231/4885
US-20130018044-A1 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF FKBP3, FKBP4, FKBP5 ATM 4698/4885L3MBTL1 3342/4885POLB 4231/4885

“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.