Sugi Predict

Sugi Predict / Compounds / SCHEMBL3300930

SCHEMBL3300930

SCHEMBL3300930

O=S(=O)(Cc1cc(F)cc(F)c1)Cc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.41
▸ CES2 O00748 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ DAO P14920 2/20 0.34
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ S100A9 P06702 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ SOS1 Q07889 1/20 0.31
▸ FAAH O00519 1/20 0.31
▸ PRSS1 P07477 1/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ ELANE P08246 1/20 0.31

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
SCHEMBL18793473 0.88 NR3C1 (0.37) IDO1CES2CES1DAOCA12
SCHEMBL9394710 0.80 IDO1 (0.38) IDO1CES2CES1DAOCA12
SCHEMBL776942 0.80 IDO1 (0.38) IDO1CES2CES1DAOCA12
SCHEMBL17459471 0.80 CA1 (0.48) IDO1CES2CES1DAOCA12
SCHEMBL3297054 0.80 IDO1 (0.38) IDO1CES2CES1DAOCA12
SCHEMBL775777 0.77 TAAR1 (0.50) IDO1DAO
SCHEMBL3297296 0.75 S100A9 (0.32) S100A9SOS1
SCHEMBL3297047 0.75 DAO (0.40) IDO1CES2CES1DAOCA12
SCHEMBL16914868 0.75 MMP2 (0.53) IDO1CES2CES1CA1NR3C1
Hydrochloric Acid SCHEMBL3297669 0.74 S100A9 (0.31) IDO1S100A9

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-7741316-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2010-06-22 — — US disclosed
US-20050130953-A1 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-06-16 — — US disclosed
US-6872717-B2 Pharmacological uses of azetidine derivatives AVENTIS PHARMA S.A. (FR) 2005-03-29 — — US disclosed
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ACHARD DANIEL (FR) 2003-03-20 — — US disclosed
US-6479479-B2 1-DIARYLMETHYL-4-ALKYL OR ALKYLSULFONYLALKYL-AZETIDINES; CANNABINOID RECEPTOR ANTAGONISTS; NERVOUS SYSTEM DISORDERS (CNS); CARDIOVASCULAR AND GLANDULAR DISORDERS; DRUG ABUSE; PSYCHOLOGICAL DISORDERS; AVENTIS PHARMA S.A. (FR) 2002-11-12 — — US disclosed
US-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them AVENTIS PHARMA S.A. (FR) 2001-10-04 — — 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 (3 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-20010027193-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 IDO1 1512/4885CES2 427/4885CES1 1049/4885
US-20030055033-A1 Azetidine derivatives, their preparation and pharmaceutical compositions containing them ALK, CYP2C9, CBR1 IDO1 1512/4885CES2 427/4885CES1 1049/4885
US-20050130953-A1 Pharmacological uses of azetidine derivatives CHRM2, ACHE, DRD2 IDO1 2553/4885CES2 223/4885CES1 2160/4885

“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.