SCHEMBL974850

SCHEMBL974850

COC(=O)c1cccc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A9 P48067 2/20 0.36
GPX4 P36969 1/20 0.35
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
SCN9A Q15858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ENPP2 Q13822 1/20 0.33
SCN7A Q01118 1/20 0.33
SCN5A Q14524 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP3A5 P20815 1/20 0.32
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32

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
SCHEMBL975170 0.89 SLC6A9 (0.38) KMT2ASLC6A9SLC6A4SLC6A3SCN9A
SCHEMBL977197 0.84 CTSS (0.36) SLC6A9SCN9AENPP2CACNA2D1CACNA1B
SCHEMBL977066 0.83 ENPP2 (0.34) KMT2ASLC6A9SCN9AENPP2CACNA2D1
SCHEMBL978426 0.82 ALDH1A1 (0.39) POLBMCOLN3SLC6A9GPX4SLC6A3
SCHEMBL1993289 0.79 MAPT (0.39) POLBKMT2ASLC6A9GPX4KDM4E
SCHEMBL974851 0.77 SLC6A9 (0.38) POLBMCOLN3SLC6A9GPX4SLC6A4
SCHEMBL977021 0.77 SLC6A9 (0.36) POLBSLC6A9GPX4SCN9ASMN1; SMN2
SCHEMBL975274 0.76 SLC6A9 (0.38) POLBSLC6A9GPX4SMN1; SMN2HSD17B10
SCHEMBL976065 0.75 SLC6A9 (0.38) KMT2ASLC6A9GPX4KDM4EALDH1A1
SCHEMBL4711968 0.74 CYP3A4 (0.42) SLC6A9GPX4SLC6A4SLC6A3KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI (FR) 2013-09-12 US claimed
EP-2234966-B1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI SA (FR) 2013-09-11 EP 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
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 POLB 3591/4885MCOLN3 4221/4885KMT2A 2003/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B POLB 3591/4885MCOLN3 4221/4885KMT2A 2003/4885

“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.