Sugi Predict

Sugi Predict / Compounds / SCHEMBL977115

SCHEMBL977115

SCHEMBL977115

Cc1cc(C(=O)O)cc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.42
▸ SLC6A9 P48067 4/20 0.38
▸ CACNA2D1 P54289 2/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ CACNB1 Q02641 2/20 0.36
▸ CACNA1C Q13936 1/20 0.36
▸ OPRD1 P41143 2/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ GPX4 P36969 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A5 P20815 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HPN P05981 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ ADRA2A P08913 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
SCHEMBL975245 0.92 SLC6A9 (0.39) F2SLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL974409 0.89 SLC6A9 (0.38) F2SLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL974203 0.89 SLC6A9 (0.38) F2SLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL977322 0.87 RORC (0.37) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL977822 0.87 MEN1 (0.37) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL975572 0.87 F2 (0.43) F2SLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL975804 0.87 F2 (0.39) F2SLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL977045 0.87 CACNA2D1 (0.41) SLC6A9CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL975565 0.86 SLC6A9 (0.36) F2SLC6A9CACNA2D1CACNA1BCACNB1
SCHEMBL977623 0.84 F2 (0.42) F2SLC6A9EPHX2CNR1

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 F2 2042/4885SLC6A9 2158/4885CACNA2D1 2643/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B F2 2042/4885SLC6A9 2158/4885CACNA2D1 2643/4885

“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.