SCHEMBL9963189

SCHEMBL9963189

CC(C)S(=O)(=O)c1cc(F)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 7/20 0.46
PSEN2 P49810 7/20 0.46
APH1B Q8WW43 7/20 0.46
NCSTN Q92542 7/20 0.46
APH1A Q96BI3 7/20 0.46
PSENEN Q9NZ42 7/20 0.46
PKM P14618 1/20 0.44
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
TP53 P04637 1/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9963191 0.84 POLB (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14443241 0.82 MEP1B (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12325549 0.81 ALOX5AP (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20085642 0.81 ALDH1A1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24694726 0.81 PKM (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2060749 0.79 ATM (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17069239 0.78 TSHR (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24694719 0.78 PKM (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20085640 0.77 NPC1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13797487 0.77 AKR1B1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2023-08-10 US disclosed
WO-2022253167-A1 SUBSTITUTED PHENYL-1H-PYRROLO [2, 3-c] PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-12-08 WO disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 US disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2011-03-10 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 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 (4 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 PSEN1 326/4885PSEN2 621/4885APH1B 873/4885
US-20110059951-A1 HETEROCYCLIC DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PSEN1 4416/4885PSEN2 4292/4885APH1B 3730/4885
US-20230250096-A1 SUBSTITUTED PHENYL-1H-PYRROLO[2,3-c] PYRIDINE DERIVATIVES MLLT1, BMI1, MEN1 PSEN1 1468/4885PSEN2 1746/4885APH1B 1683/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 PSEN1 2105/4885PSEN2 2909/4885APH1B 3090/4885

“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.