SCHEMBL344758

SCHEMBL344758

CC(C)OC(=O)c1ccccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.55
NPC1 O15118 3/20 0.54
KMT2A Q03164 1/20 0.52
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
ALDH1A1 P00352 4/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 2/20 0.51
RAB9A P51151 2/20 0.51
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
ADRB3 P13945 1/20 0.50
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA7 P43166 3/20 0.48
CA9 Q16790 3/20 0.48
CA14 Q9ULX7 3/20 0.48

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
SCHEMBL137907 0.86 NPC1 (0.62) NPC1KMT2AALDH1A1RAB9APDCD1
SCHEMBL21676265 0.85 TSHR (0.53) USP2NPC1MAPTPOLBCA12
SCHEMBL5081284 0.84 USP2 (0.62) USP2NPC1KMT2ACES2CES1
SCHEMBL11229093 0.84 ALDH1A1 (0.51) USP2NPC1KMT2ACES2CES1
SCHEMBL15771342 0.82 NPC1 (0.49) USP2NPC1KMT2AALDH1A1MAPT
SCHEMBL1253296 0.81 NPC1 (0.48) USP2NPC1KMT2AALDH1A1MAPT
SCHEMBL10776009 0.81 USP2 (0.52) USP2NPC1KMT2ACES2CES1
SCHEMBL29136152 0.81 USP2 (0.59) USP2NPC1KMT2ACES2CES1
SCHEMBL21866481 0.81 CES2 (0.52) USP2NPC1KMT2ACES2CES1
SCHEMBL22164112 0.80 NPC1 (0.57) NPC1KMT2AALDH1A1RAB9APDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9533941-B2 Methods of synthesizing a levodopa ester prodrug XENOPORT, INC. (US) 2017-01-03 US claimed
US-20160176804-A1 METHODS OF SYNTHESIZING A LEVODOPA ESTER PRODRUG WILSHIRE PHARMACEUTICALS, INC. 2016-06-23 US claimed
US-9290445-B2 Methods of synthesizing a levodopa ester prodrug XENOPORT, INC. (US) 2016-03-22 US claimed
CN-101318887-B Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND 2011-03-23 CN claimed
US-20100099907-A1 Methods of Synthesizing a Levodopa Ester Prodrug XENOPORT, INC. 2010-04-22 US claimed
CN-101318887-A Method for preparing indene compounds SHANGHAI RES INST CHEMICAL IND (CN) 2008-12-10 CN claimed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US claimed
US-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity THE UNIVERSITY OF TOKYO (JP) 2023-05-23 US disclosed
US-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity THE UNIVERSITY OF TOKYO (JP) 2023-05-23 US disclosed
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient DONG WHA PHARM. CO., LTD. (KR) 2021-06-08 US disclosed
US-20200399305-A1 PRODRUG-TYPE ANTICANCER AGENT USING CANCER-SPECIFIC ENZYMATIC ACTIVITY THE UNIVERSITY OF TOKYO (JP) 2020-12-24 US disclosed
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2020-02-06 US disclosed
CN-104828806-B A graphene modifier, a graphene reinforced composite material and a preparing method of the graphene reinforced composite material 东莞劲胜精密组件股份有限公司 2017-01-11 CN disclosed
WO-2000075203-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075202-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000075204-A1 PROCESS FOR PRODUCING ETHYLENE/OLEFIN INTERPOLYMERS EASTMAN CHEMICAL COMPANY (US) 2000-12-14 WO disclosed
WO-2000052068-A1 PROCESS FOR PRODUCING POLYETHYLENE EASTMAN CHEMICAL COMPANY (US) 2000-09-08 WO disclosed
EP-0571770-B1 Method for producing an asymmetric biaryl derivative IHARA CHEMICAL IND CO (JP) 1996-07-10 EP disclosed
US-5380910-A Dehalogeno coupling IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 1995-01-10 US disclosed
EP-0571770-A1 Method for producing an asymmetric biaryl derivative IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 1993-12-01 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 (6 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-11655269-B2 Prodrug-type anticancer agent using cancer-specific enzymatic activity GUSB, NTPCR, FOLH1 USP2 2008/4885NPC1 856/4885KMT2A 1378/4885
US-11028090-B2 [1,2,4]Triazolo[4,3-a]quinoxaline derivative, method for preparing same, and pharmaceutical composition for preventing or treating BET protein-related diseases, containing same as active ingredient BRD4, BET1, BRD3 USP2 1231/4885NPC1 4566/4885KMT2A 276/4885
US-20200039984-A1 Novel [1,2,4]Triazolo[4,3-a]Quinoxaline Derivative, Method For Preparing Same, And Pharmaceutical Composition For Preventing Or Treating BET Protein-Related Diseases, Containing Same As Active Ingredient BRD4, BET1, BRD3 USP2 1160/4885NPC1 4455/4885KMT2A 339/4885
US-20160176804-A1 METHODS OF SYNTHESIZING A LEVODOPA ESTER PRODRUG COMT, DDT, MAOB USP2 2513/4885NPC1 2829/4885KMT2A 1664/4885
US-20200399305-A1 PRODRUG-TYPE ANTICANCER AGENT USING CANCER-SPECIFIC ENZYMATIC ACTIVITY GUSB, NTPCR, FOLH1 USP2 2008/4885NPC1 856/4885KMT2A 1378/4885
US-20100099907-A1 Methods of Synthesizing a Levodopa Ester Prodrug COMT, DDT, MAOB USP2 2513/4885NPC1 2829/4885KMT2A 1664/4885

“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.