Sugi Predict

Sugi Predict / Compounds / SCHEMBL977048

SCHEMBL977048

SCHEMBL977048

CCOC(=O)c1cc(F)cc(N(C2CN(C(c3ccc(C#N)cc3)c3ccc(C#N)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ SCN9A Q15858 2/20 0.36
▸ POLB P06746 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ EPHX2 P34913 3/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CYP2J2 P51589 1/20 0.34
▸ OPRD1 P41143 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL977037 0.89 MAPT (0.36) ELANECYP2C9POLBCYP3A4OPRD1
SCHEMBL978429 0.89 SLC6A9 (0.36) POLBOPRD1KMT2AMAPTNPSR1
SCHEMBL976537 0.88 ALOX15 (0.38) POLBOPRD1KMT2AMAPTNPSR1
SCHEMBL974854 0.88 OPRD1 (0.37) OPRD1MGLL
SCHEMBL979149 0.88 EPHX2 (0.37) CYP2C9SCN9AEPHX2CYP2C19CYP2J2
SCHEMBL30961574 0.84 OPRD1 (0.47) SCN9AOPRD1SCN5AKMT2AMAPT
SCHEMBL30961524 0.84 OPRD1 (0.47) SCN9AOPRD1SCN5AKMT2AMAPT
SCHEMBL30961564 0.84 OPRD1 (0.47) SCN9AOPRD1SCN5AKMT2AMAPT
SCHEMBL979321 0.81 OPRD1 (0.35) CYP2C9SCN9AOPRD1SCN5AMGLL
SCHEMBL975577 0.81 EPHX2 (0.35) CYP2C9SCN9AEPHX2CYP2C19CYP2J2

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 ELANE 2836/4885CYP2C9 55/4885SCN9A 694/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B ELANE 2836/4885CYP2C9 55/4885SCN9A 694/4885

“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.