SCHEMBL974855

SCHEMBL974855

CCOC(=O)c1cc(F)cc(NS(=O)(=O)CC2CN(C(c3ccc(OC)cc3)c3ccc(OC)cc3)C2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
MGLL Q99685 1/20 0.36
SREBF1 P36956 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
LMNA P02545 1/20 0.36
GPR35 Q9HC97 1/20 0.36
UBE2N P61088 1/20 0.36
P2RX3 P56373 2/20 0.35
MAPK1 P28482 1/20 0.35
SCN9A Q15858 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL978430 0.90 HPGD (0.38) HPGDMAPTSREBF1NR1H2NR1H3
SCHEMBL977039 0.90 NHERF1 (0.40) HPGDALDH1A1MAPTLMNAMAPK1
SCHEMBL977371 0.89 FABP4 (0.41) ALDH1A1MAPTMGLLLMNAUBE2N
SCHEMBL976538 0.89 BCHE (0.38) HPGDMAPTTP53LMNASCN9A
SCHEMBL977049 0.88 SCN9A (0.39) HPGDALDH1A1SCN9ACA1CA2
SCHEMBL979322 0.87 TCF4 (0.37) HPGDALDH1A1MGLLLMNASCN9A
SCHEMBL975372 0.86 KDM4E (0.41) HPGDALDH1A1MAPTMGLLLMNA
SCHEMBL977906 0.85 ACHE (0.42) MGLLLMNAMAPK1SCN9AKMT2A
SCHEMBL977022 0.84 SLC6A9 (0.37) HPGDALDH1A1MAPTLMNAP2RX3
SCHEMBL977104 0.83 HPGDS (0.37) ALDH1A1MGLLLMNAUBE2NSCN9A

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 HPGD 1612/4885ALDH1A1 314/4885HSD17B10 4473/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B HPGD 1612/4885ALDH1A1 314/4885HSD17B10 4473/4885

“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.