SCHEMBL179518

SCHEMBL179518

CC(C)(C)/C=C1/SC(=O)NC1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 11/20 0.48
▸ PIM2 Q9P1W9 10/20 0.48
▸ HPGD P15428 2/20 0.48
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ PIM3 Q86V86 1/20 0.46
▸ AKR1B1 P15121 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ MAOA P21397 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ TTR P02766 1/20 0.43
▸ CISD1 Q9NZ45 2/20 0.43
▸ NAT1 P18440 1/20 0.42

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
SCHEMBL13710264 1.00 PIM1 (0.48) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL16277016 1.00 PIM1 (0.48) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL12961177 0.79 PTGS2 (0.49) PTGS2RAB9ANPC1MAOACISD1
SCHEMBL19726972 0.77 PIM1 (0.45) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL19779055 0.77 PIM1 (0.45) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL13618348 0.75 — —
SCHEMBL264927 0.75 — —
SCHEMBL22939019 0.75 — —
SCHEMBL18879276 0.73 PIM1 (0.41) PIM1PIM2HPGDPTGS1PTGS2
SCHEMBL19618191 0.70 PIM1 (0.39) PIM1PIM2HPGDPTGS1PTGS2

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 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE GENZYME CORPORATION 2024-07-18 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 — — US disclosed
US-11433065-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2022-09-06 — — US disclosed
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. 2021-03-04 — — US disclosed
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2020-07-16 — — US disclosed
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2019-09-26 — — US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 — — US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 — — US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 — — US disclosed
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS ELI LILLY AND COMPANY 2009-09-17 — — US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 — — US disclosed
US-7582775-B2 Vitamin D receptor modulators ELI LILLY AND COMPANY (US) 2009-09-01 — — US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 — — US disclosed
US-20080200552-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY (IN) 2008-08-21 — — US disclosed
US-20080119407-A1 Vitamin D Receptor Modulators ELI LILLY AND COMPANY 2008-05-22 — — US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 — — US disclosed
US-20070149810-A1 Vitamin d receptor modulators ELI LILLY AND COMPANY (US) 2007-06-28 — — 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 (13 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-20240239784-A1 INDOLE COMPOUNDS AND METHODS OF USE CFTR, INMT, IDO1 PIM1 2172/4885PIM2 1969/4885HPGD 328/4885
US-20080119407-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 PIM1 4697/4885PIM2 4589/4885HPGD 936/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIM1 257/4885PIM2 258/4885HPGD 2421/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIM1 393/4885PIM2 489/4885HPGD 3405/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD PIM1 271/4885PIM2 281/4885HPGD 2554/4885
US-20080200552-A1 Vitamin D Receptor Modulators VDR, CYP2R1, CYP24A1 PIM1 3316/4885PIM2 3383/4885HPGD 201/4885
US-20090234001-A1 VITAMIN D RECEPTOR MODULATORS VDR, CYP2R1, CYP24A1 PIM1 4454/4885PIM2 4252/4885HPGD 459/4885
US-20190290636-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB PIM1 257/4885PIM2 258/4885HPGD 2421/4885
US-20070149810-A1 Vitamin d receptor modulators VDR, CYP2R1, CYP24A1 PIM1 2333/4885PIM2 2400/4885HPGD 355/4885
US-20200222384-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A PIM1 393/4885PIM2 489/4885HPGD 3405/4885
US-20210060022-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIM1 320/4885PIM2 427/4885HPGD 3314/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB PIM1 268/4885PIM2 354/4885HPGD 2431/4885
US-11433065-B2 Certain chemical entities, compositions and methods PIK3CA, AKT3, PIK3C2A PIM1 393/4885PIM2 489/4885HPGD 3405/4885

“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.

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