SCHEMBL3852706

SCHEMBL3852706

CC(C)(C)c1ccccc1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.55
NR1H4 Q96RI1 1/20 0.50
TDP1 Q9NUW8 2/20 0.48
POLQ O75417 1/20 0.45
PTGS2 P35354 3/20 0.44
MMP2 P08253 2/20 0.44
MMP8 P22894 2/20 0.44
MMP12 P39900 2/20 0.44
MMP13 P45452 2/20 0.44
MMP14 P50281 2/20 0.44
MMP16 P51512 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
BCAT2 O15382 1/20 0.43
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
CXCL8 P10145 4/20 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
SCHEMBL9421810 0.88 AKR1B1 (0.55) AKR1B1NR1H4TDP1POLQPTGS2
SCHEMBL6070230 0.85 AKR1B1 (0.52) AKR1B1NR1H4TDP1POLQPTGS2
SCHEMBL8975793 0.84 L3MBTL1 (0.46) AKR1B1NR1H4TDP1POLQALDH1A1
SCHEMBL28079937 0.83 AKR1B1 (0.46) AKR1B1NR1H4TDP1PTGS2MMP2
SCHEMBL1681344 0.83 AKR1B1 (0.50) AKR1B1NR1H4TDP1POLQPTGS2
SCHEMBL7792855 0.83 CA2 (0.55) AKR1B1NR1H4TDP1PTGS2ALDH1A1
SCHEMBL19237110 0.83 AKR1B1 (0.50) AKR1B1NR1H4TDP1POLQPTGS2
SCHEMBL8870525 0.82 ALDH1A1 (0.42) AKR1B1NR1H4TDP1POLQALDH1A1
SCHEMBL19224348 0.82 ALDH1A1 (0.42) AKR1B1NR1H4TDP1POLQALDH1A1
SCHEMBL12203516 0.82 ALDH1A1 (0.42) AKR1B1NR1H4TDP1POLQALDH1A1

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-102977098-B Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2015-04-01 CN claimed
CN-102977098-A Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2013-03-20 CN claimed
US-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2022-11-17 US disclosed
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2022-09-06 US disclosed
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CHEMOCENTRYX, INC. 2020-05-14 US disclosed
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. 2019-06-06 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX, INC. (US) 2017-04-06 US disclosed
CN-102977098-B Aryl-substituted indolizine derivative and preparation method and applications thereof UNIV SHAOXING 2015-04-01 CN disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CHEMOCENTRYX INC (US) 2014-01-30 US disclosed
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CHEMOCENTRYX, INC. 2010-03-04 US disclosed
US-7622583-B2 Heteroaryl sulfonamides and CCR2 CHEMOCENTRYX, INC. (US) 2009-11-24 US disclosed
WO-2009120182-A2 SULFO-POLYMER POWDER AND SULFO-POLYMER POWDER BLENDS WITH CARRIERS AND/OR ACTIVES EASTMAN CHEMICAL COMPANY (US) 2009-10-01 WO disclosed
CN-1927809-A Preparation method of t-butylphenyl acetic acid UNIV SHANGHAI (CN) 2007-03-14 CN disclosed
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CHEMOCENTRYX, INC. 2007-02-15 US disclosed
EP-0758013-B1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL CO LTD (JP) 2000-10-11 EP disclosed
US-5855971-A Liquid crystalline optical film, compensating film for liquid crystal display comprising the liquid crystalline optical film, and liquid crystal display having the compensating film NIPPON OIL COMPANY, LIMITED (JP) 1999-01-05 US disclosed
EP-0758013-A1 Liquid crystalline optical film, compensating film for liquid crystal display and liquid crystal display NIPPON OIL COMPANY, LIMITED (JP) 1997-02-12 EP disclosed
EP-0253501-A2 N-disubstituted cycloalkylmethyl amines useful as fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-01-20 EP 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-20220363709-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 AKR1B1 823/4885NR1H4 1885/4885TDP1 504/4885
US-11433061-B2 Heteroaryl sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 AKR1B1 2666/4885NR1H4 74/4885TDP1 4830/4885
US-20070037794-A1 4-((5-Chloro-3-(4-methyl-3-trifluoromethylbenzenesulfonylamino)pyridin-2-yl)-oxo-)1H-pyrrolo(2,3-)pyridine;interfere with ligand (monocyte chemoatactic protein-1) for chemokine receptors (CCR2); antiinflammatory agents; immunomodulators; bactericides; viricides; fungicides CCR2, CCR1, CCL2 AKR1B1 1796/4885NR1H4 517/4885TDP1 3111/4885
US-20100056509-A1 HETEROARYL SULFONAMIDES AND CCR2 CCR2, CXCR2, CCR1 AKR1B1 1968/4885NR1H4 80/4885TDP1 4823/4885
US-20140031348-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 AKR1B1 2666/4885NR1H4 74/4885TDP1 4830/4885
US-20170095458-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 AKR1B1 2666/4885NR1H4 74/4885TDP1 4830/4885
US-20200147066-A1 Heteroaryl Sulfonamides and CCR2/CCR9 CCR2, CCR9, CCR1 AKR1B1 2666/4885NR1H4 74/4885TDP1 4830/4885
US-20190167651-A1 HETEROARYL SULFONAMIDES AND CCR2/CCR9 CCR2, CCR9, CCR1 AKR1B1 2666/4885NR1H4 74/4885TDP1 4830/4885

“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.