SCHEMBL1936626

SCHEMBL1936626

Cc1ccc(C(=O)O)c(C)c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
HAAO P46952 1/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
NOTUM Q6P988 1/20 0.41
MCL1 Q07820 1/20 0.40
TSHR P16473 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39

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
SCHEMBL7130116 0.88 CYP1A2 (0.46) CYP1A2HAAOALDH1A1KDM4EHSD17B10
SCHEMBL2898402 0.84 HAAO (0.42) CYP1A2HAAOALDH1A1KDM4EHSD17B10
SCHEMBL2649706 0.83 CSNK2A1 (0.48) CYP1A2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL28739998 0.83 HAAO (0.41) CYP1A2HAAOALDH1A1KDM4EHSD17B10
SCHEMBL28090437 0.83 CYP1A2 (0.41) CYP1A2HAAOALDH1A1KDM4EHSD17B10
SCHEMBL242262 0.81 CYP1A2 (0.48) CYP1A2HAAOALDH1A1KDM4EHSD17B10
SCHEMBL29370019 0.81 CYP1A2 (0.48) CYP1A2HAAOALDH1A1KDM4EHSD17B10
SCHEMBL28033212 0.81 CYP1A2 (0.48) CYP1A2HAAOALDH1A1KDM4EHSD17B10
SCHEMBL31636330 0.81 ALDH1A1 (0.44) CYP1A2ALDH1A1KDM4EHPGDNOTUM
SCHEMBL128319 0.80 CYP1A2 (0.58) CYP1A2HAAOALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111170868-B Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid 北京印刷学院 2022-07-12 CN claimed
CN-111170868-A Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid 北京印刷学院 2020-05-19 CN claimed
CN-111170868-B Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid 北京印刷学院 2022-07-12 CN disclosed
EP-3083583-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF SAGIMET BIOSCIENCES INC (US) 2020-11-18 EP disclosed
CN-111170868-A Synthetic method of 2, 4-dimethyl-3-methylsulfonylbenzoic acid 北京印刷学院 2020-05-19 CN disclosed
EP-2870150-B1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3 V BIOSCIENCES INC (US) 2019-06-19 EP disclosed
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof 3-V BIOSCIENCES, INC. (US) 2019-03-12 US disclosed
US-10118913-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-11-06 US disclosed
US-10053450-B2 Heterocyclic modulators of lipid synthesis 3-V BIOSCIENCES, INC. (US) 2018-08-21 US disclosed
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS 3-V BIOSCIENCES, INC. 2018-08-09 US disclosed
US-20160338998-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF 3-V BIOSCIENCES, INC. (US) 2016-11-24 US disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
EP-2331502-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
WO-2010030538-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-18 WO disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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 (8 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-10118913-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 CYP1A2 302/4885HAAO 929/4885ALDH1A1 879/4885
US-10053450-B2 Heterocyclic modulators of lipid synthesis FASN, FADS1, FADS2 CYP1A2 302/4885HAAO 929/4885ALDH1A1 879/4885
US-20180222892-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS FASN, FADS1, FADS2 CYP1A2 302/4885HAAO 929/4885ALDH1A1 879/4885
US-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP1A2 386/4885HAAO 2925/4885ALDH1A1 447/4885
US-10226449-B2 Heterocyclic modulators of lipid synthesis and combinations thereof FASN, FADS1, COASY CYP1A2 308/4885HAAO 1121/4885ALDH1A1 959/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP1A2 386/4885HAAO 2925/4885ALDH1A1 447/4885
US-20160338998-A1 HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF FASN, FADS1, COASY CYP1A2 308/4885HAAO 1121/4885ALDH1A1 959/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 CYP1A2 386/4885HAAO 2925/4885ALDH1A1 447/4885

“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.