Sugi Predict

Sugi Predict / Compounds / SCHEMBL977104

SCHEMBL977104

SCHEMBL977104

COc1ccc(C(c2ccc(OC)cc2)N2CC(CS(=O)(=O)Nc3cc(F)cc(C(=O)N[C@@H](C)C(N)=O)c3)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SCN9A Q15858 2/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ MCHR1 Q99705 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ UBE2N P61088 1/20 0.34
▸ KAT8 Q9H7Z6 2/20 0.34
▸ GRIA2 P42262 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ SLC6A9 P48067 1/20 0.33
▸ SLC6A5 Q9Y345 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
SCHEMBL977025 0.93 BACE1 (0.36) ALDH1A1LMNASCN9AKMT2AGRIA2
SCHEMBL974839 0.90 SCN9A (0.35) SCN9AKAT8GRIA2SLC6A9
SCHEMBL974741 0.90 SCN9A (0.35) SCN9AKAT8GRIA2SLC6A9
SCHEMBL978481 0.90 GRIA2 (0.34) ALDH1A1GAASCN9AKMT2AGRIA2
SCHEMBL977062 0.89 SCN9A (0.36) LMNASCN9AGRIA2
SCHEMBL975579 0.88 SCN9A (0.37) SCN9AKMT2AGRIA2
SCHEMBL976314 0.87 MEN1 (0.35) HPGDSALDH1A1GAALMNAMCHR1
SCHEMBL977371 0.86 FABP4 (0.41) ALDH1A1GAALMNASCN9AMGLL
SCHEMBL977439 0.86 SCN9A (0.36) SCN9AKAT8GRIA2SLC6A9
SCHEMBL977441 0.86 SCN9A (0.36) SCN9AKAT8GRIA2SLC6A9

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 HPGDS 2284/4885ALDH1A1 314/4885GAA 728/4885
US-20110009377-A1 AZETIDINE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPY QDPR, AZI2, ADRA1B HPGDS 2284/4885ALDH1A1 314/4885GAA 728/4885

“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.