SCHEMBL976385

SCHEMBL976385

C[C@H](NC(=O)c1cccc(NS(=O)(=O)CC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c1)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
CCR2 P41597 1/20 0.36
MAP3K5 Q99683 1/20 0.36
CCR1 P32246 1/20 0.36
UTS2R Q9UKP6 5/20 0.36
ACKR3 P25106 1/20 0.36
NR3C1 P04150 2/20 0.35
BACE1 P56817 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSD P07339 1/20 0.35
HPGD P15428 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
SCHEMBL976516 1.00 EGFR (0.40) EGFRFGFR1KDRF10PRSS1
SCHEMBL976523 0.92 EGFR (0.40) EGFRFGFR1KDRCCR2MAP3K5
SCHEMBL976524 0.92 EGFR (0.40) EGFRFGFR1KDRCCR2MAP3K5
SCHEMBL977764 0.91 CCR2 (0.40) EGFRFGFR1KDRF10PRSS1
SCHEMBL977145 0.91 CCR1 (0.38) EGFRFGFR1KDRF10PRSS1
SCHEMBL977767 0.91 EGFR (0.39) EGFRFGFR1KDRF10PRSS1
SCHEMBL976967 0.90 SLC6A9 (0.34) F10PRSS1
SCHEMBL977319 0.90 CCR1 (0.42) EGFRFGFR1KDRCCR1
SCHEMBL975115 0.90 CCR1 (0.40) EGFRFGFR1KDRF10PRSS1
SCHEMBL978275 0.90 UTS2R (0.39) EGFRFGFR1KDRCCR2MAP3K5

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 9 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
EP-2234966-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY Sanofi-Aventis (FR) 2010-10-06 EP disclosed
WO-2009106708-A2 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY SANOFI-AVENTIS (FR) 2009-09-03 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-20130237513-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B EGFR 661/4885FGFR1 3835/4885KDR 2053/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B EGFR 661/4885FGFR1 3835/4885KDR 2053/4885

“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.