SCHEMBL976057

SCHEMBL976057

COC(=O)c1cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
CNR1 P21554 2/20 0.36
UTS2R Q9UKP6 2/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CACNA1B Q00975 1/20 0.35
SLC6A9 P48067 1/20 0.35
MGLL Q99685 1/20 0.35
ABHD6 Q9BV23 1/20 0.35
RHOC P08134 3/20 0.35
RHOA P61586 3/20 0.35
ATM Q13315 1/20 0.35
GPX4 P36969 1/20 0.34
CLPP Q16740 1/20 0.34
CNR2 P34972 2/20 0.34

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
SCHEMBL977822 0.90 MEN1 (0.37) CNR1UTS2RMEN1KMT2ACACNA1B
SCHEMBL975274 0.90 SLC6A9 (0.38) POLBMAPTCNR1MMP2MMP9
SCHEMBL977021 0.89 SLC6A9 (0.36) POLBMAPTCNR1MMP2MMP9
SCHEMBL975709 0.87 SLC6A9 (0.36) NOTUMPOLBMAPTCNR1MMP2
SCHEMBL977235 0.87 SLC6A9 (0.36) CNR1UTS2RMMP2MMP9KMT2A
SCHEMBL3404903 0.85 RHOC (0.42) RHOCRHOA
SCHEMBL3429829 0.85 UTS2R (0.40) UTS2RRHOCRHOA
SCHEMBL977001 0.85 LMNA (0.34) POLBMAPTUTS2RMEN1KMT2A
SCHEMBL1993289 0.85 MAPT (0.39) POLBMAPTCNR1MEN1KMT2A
SCHEMBL979163 0.85 OPRD1 (0.35) POLBMAPTCNR1MMP2MMP9

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 NOTUM 4367/4885POLB 3591/4885MAPT 4790/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B NOTUM 4367/4885POLB 3591/4885MAPT 4790/4885

“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.