SCHEMBL976523

SCHEMBL976523

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.40
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
UTS2R Q9UKP6 6/20 0.38
SLC6A9 P48067 2/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
CCR2 P41597 1/20 0.37
MAP3K5 Q99683 1/20 0.37
S1PR1 P21453 1/20 0.36
ACKR3 P25106 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL976524 1.00 EGFR (0.40) EGFRFGFR1KDRCA1CA2
SCHEMBL976516 0.92 EGFR (0.40) EGFRFGFR1KDRUTS2RCTSD
SCHEMBL976385 0.92 EGFR (0.40) EGFRFGFR1KDRUTS2RCTSD
SCHEMBL977764 0.92 CCR2 (0.40) EGFRFGFR1KDRUTS2RCTSD
SCHEMBL978275 0.91 UTS2R (0.39) EGFRFGFR1KDRUTS2RCCR2
SCHEMBL976402 0.90 CCKBR (0.38) CA1CA2SLC6A9
SCHEMBL976400 0.90 CCKBR (0.38) CA1CA2SLC6A9
SCHEMBL3401769 0.90 EGFR (0.41) EGFRFGFR1KDRUTS2RMAP3K5
SCHEMBL975574 0.89 SLC6A9 (0.37) CA1CA2SLC6A9S1PR1
SCHEMBL975573 0.89 SLC6A9 (0.37) CA1CA2SLC6A9S1PR1

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
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
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 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.