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SCHEMBL975577

SCHEMBL975577

C[C@H](NC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(C#N)cc3)c3ccc(C#N)cc3)C2)S(C)(=O)=O)c1)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35
▸ SCN9A Q15858 2/20 0.34
▸ BACE1 P56817 6/20 0.33
▸ BACE2 Q9Y5Z0 2/20 0.32
▸ CTSD P07339 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32
▸ KDM1A O60341 3/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ PTGDR Q13258 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ S1PR3 Q99500 1/20 0.31

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
SCHEMBL977024 0.92 BACE1 (0.38) SCN9ABACE1BACE2
SCHEMBL978480 0.89 BACE1 (0.34) BACE1BACE2CA12CA1CA9
SCHEMBL974739 0.89 F2 (0.34) BACE1BACE2IDO1TBXA2RCA12
SCHEMBL974838 0.89 F2 (0.34) BACE1BACE2IDO1TBXA2RCA12
SCHEMBL977060 0.89 PDE2A (0.35) SCN9ABACE1BACE2CTSDKCNH2
SCHEMBL977101 0.88 HPGDS (0.39) SCN9ABACE1BACE2
SCHEMBL977232 0.87 CNR1 (0.34) EPHX2BACE1BACE2CTSDTBXA2R
SCHEMBL979149 0.85 EPHX2 (0.37) EPHX2CYP2C9CYP2C19CYP2J2SCN9A
SCHEMBL977440 0.82 PSEN1 (0.34) BACE1BACE2IDO1
SCHEMBL977151 0.82 ERAP1 (0.37) BACE1BACE2TBXA2RCA1

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-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP claimed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 — — US claimed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 — — US claimed
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 — — US disclosed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 — — EP disclosed
US-8445478-B2 Azetidine derivatives, their preparation and their application in therapy SANOFI (FR) 2013-05-21 — — US disclosed
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2011-01-13 — — 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B EPHX2 968/4885CYP2C9 55/4885CYP2C19 25/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B EPHX2 968/4885CYP2C9 55/4885CYP2C19 25/4885

“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.