SCHEMBL602376

SCHEMBL602376

CCOC(=O)CC1CCC(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
DGAT1 O75907 10/20 0.48
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
ESR2 Q92731 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
FAAH O00519 1/20 0.40
CHRM2 P08172 1/20 0.40
SOAT1 P35610 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL180806 0.89 CYP2C9 (0.48) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL4345232 0.88 DGAT1 (0.47) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL4343367 0.88 CYP2C9 (0.64) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL180997 0.88 DGAT1 (0.47) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL180554 0.87 IDO1 (0.49) DGAT1ALDH1A1MAPTJAK2JAK1
SCHEMBL16791007 0.87 DGAT1 (0.50) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL4485834 0.86 ALDH1A1 (0.47) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL4937649 0.86 ALDH1A1 (0.47) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL434831 0.86 ALDH1A1 (0.48) CYP2C9DGAT1ALDH1A1LMNAMAPT
SCHEMBL14984446 0.86 ALDH1A1 (0.48) CYP2C9DGAT1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11242319-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2022-02-08 US disclosed
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-10987322-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2021-04-27 US disclosed
US-20190092729-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2019-03-28 US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
US-20170112785-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. 2017-04-27 US disclosed
EP-3151820-A1 IMMUNOREGULATORY AGENTS Flexus Biosciences, Inc. (US) 2017-04-12 EP disclosed
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 WO disclosed
WO-2015188085-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES, INC. (US) 2015-12-10 WO disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-8546391-B2 Thiadiazole and oxadiazole derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-10-01 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-16 US disclosed
WO-2010086551-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 WO 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 (5 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-11242319-B2 Immunoregulatory agents IDO1, IDO2, INMT CYP2C9 2655/4885DGAT1 854/4885ALDH1A1 219/4885
US-20120040984-A1 THIADIAZOLE AND OXADIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF OXA1L, CYP11B2, CYP11B1 CYP2C9 64/4885DGAT1 3495/4885ALDH1A1 126/4885
US-20190092729-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT CYP2C9 2655/4885DGAT1 854/4885ALDH1A1 219/4885
US-20170112785-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT CYP2C9 2655/4885DGAT1 854/4885ALDH1A1 219/4885
US-10987322-B2 Immunoregulatory agents IDO1, IDO2, INMT CYP2C9 2655/4885DGAT1 854/4885ALDH1A1 219/4885

“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.