SCHEMBL2625769

SCHEMBL2625769

CC(C)(C)c1cc(F)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.42
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
ACE2 Q9BYF1 1/20 0.38
RIPK1 Q13546 3/20 0.37
KLF10 Q13118 1/20 0.37
NR3C2 P08235 4/20 0.36
RBP4 P02753 2/20 0.36
NR3C1 P04150 3/20 0.36
PGR P06401 2/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ATP2A2 P16615 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ATP2A3 Q93084 1/20 0.34

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
SCHEMBL13547861 0.90 PTGS1 (0.40) IDO1PTGS1PTGS2ACE2RIPK1
SCHEMBL26772741 0.85 KLF10 (0.46) IDO1PTGS1PTGS2ACE2RIPK1
SCHEMBL12740308 0.83 IDO1 (0.42) IDO1PTGS1PTGS2RIPK1NR3C2
SCHEMBL179547 0.82 IDO1 (0.44) IDO1PTGS1PTGS2RIPK1NR3C2
SCHEMBL3278241 0.81 IDO1 (0.61) IDO1SLC6A2SLC6A4
SCHEMBL13403327 0.80 PTGS1 (0.42) IDO1PTGS1PTGS2NR3C2RBP4
SCHEMBL20844648 0.80 TSHR (0.46) RIPK1RBP4
SCHEMBL17414238 0.79 IDO1 (0.42) IDO1RIPK1NR3C2NR3C1PGR
SCHEMBL28552616 0.77 IDO1 (0.45) IDO1RIPK1RBP4ALDH1A1MAPT
SCHEMBL10611171 0.77 HSPA5 (0.47) PTGS1PTGS2ACE2KLF10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. (KR) 2023-11-16 US disclosed
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2023-10-31 US disclosed
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders 1ST Biotherapeutics, Inc. (KR) 2023-10-31 US disclosed
US-20210347774-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2021-11-11 US disclosed
US-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS 1ST Biotherapeutics, Inc. 2020-08-27 US disclosed
US-8586589-B2 Piperidine and piperazine phenyl sulfonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-19 US disclosed
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 US disclosed
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-06 US disclosed
US-8309587-B2 Piperidine and piperazine phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8278460-B2 Substituted benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2012-10-02 US disclosed
US-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 US disclosed
US-8163720-B2 Pyrrolidinyl phenyl sulphonamides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-04-24 US disclosed
US-20110172280-A1 Substituted Benzimidazoles CONCERT PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-04-07 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 (9 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-20120178713-A1 PHENYL SULPHONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, TRPA1, TRPV5 IDO1 3294/4885PTGS1 375/4885PTGS2 347/4885
US-20230365557-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT IDO1 1880/4885PTGS1 3952/4885PTGS2 3794/4885
US-20120308606-A1 BICYCLIC DERIVATIVES AS MODULATORS OF VOLTAGE GATED ION CHANNELS TRPV1, TRPV2, TRPV3 IDO1 3736/4885PTGS1 340/4885PTGS2 324/4885
US-20110082117-A1 PHENYL SULFONAMIDES AS MODULATORS OF ION CHANNELS TRPV1, KCNJ2, TRPA1 IDO1 2601/4885PTGS1 855/4885PTGS2 589/4885
US-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 IDO1 2394/4885PTGS1 305/4885PTGS2 235/4885
US-11802126-B2 Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders SMN1; SMN2, SNCA, HTT IDO1 1880/4885PTGS1 3952/4885PTGS2 3794/4885
US-20200270246-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT IDO1 1880/4885PTGS1 3952/4885PTGS2 3794/4885
US-20110172280-A1 Substituted Benzimidazoles GABRA5, GABRB1, GABRA4 IDO1 1587/4885PTGS1 1235/4885PTGS2 1282/4885
US-20210347774-A1 IMIDAZOPYRIDINYL COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE DISORDERS SMN1; SMN2, SNCA, HTT IDO1 1880/4885PTGS1 3952/4885PTGS2 3794/4885

“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.