SCHEMBL11545308

SCHEMBL11545308

CCCCCCC(C)(F)F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.54
LPAR3 Q9UBY5 1/20 0.54
CES2 O00748 3/20 0.48
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.47
FAAH O00519 7/20 0.41
CES1 P23141 5/20 0.41
GGPS1 O95749 4/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
FDPS P14324 6/20 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
SCHEMBL27319691 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL12290440 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL30278656 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL1936480 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL24761094 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL23381380 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL24761193 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL23034428 1.00 LPAR1 (0.54) LPAR1LPAR3CES2TSHRTHRB
SCHEMBL15424555 0.97
SCHEMBL804671 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024096577-A1 COMPOUND COMPRISING FC-BINDING UNIT, AND CONJUGATE PREPARED USING SAME 앱티스 주식회사 2024-05-10 WO disclosed
EP-2988732-B1 MODIFIED HYDROGELS ASCENDIS PHARMA AS (DK) 2023-05-03 EP disclosed
CN-115458808-A Method for producing lithium fluorosulfonate, nonaqueous electrolytic solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2022-12-09 CN disclosed
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-30 US disclosed
CN-113387375-A Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2021-09-14 CN disclosed
CN-108502904-B Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2021-06-08 CN disclosed
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2020-12-10 US disclosed
CN-111646489-A Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-09-11 CN disclosed
CN-106882820-B Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery 三菱化学株式会社 2020-05-29 CN disclosed
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 US disclosed
EP-2881394-B1 CONDENSED RING HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2018-03-21 EP disclosed
US-9789180-B2 D-amino acid derivative-modified peptidoglycan and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9771394-B2 Antimicrobial polymyxins for treatment of bacterial infections MICURX PHARMACEUTICALS, INC. (KY) 2017-09-26 US disclosed
US-20170021013-A1 D-AMINO ACID DERIVATIVE-MODIFIED PEPTIDOGLYCAN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-26 US disclosed
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. 2016-06-30 US disclosed
CN-104167564-A Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2014-11-26 CN disclosed
CN-102754268-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2014-11-19 CN disclosed
CN-103492319-A Method for producing lithium fluorosulfonate, nonaqueous electrolyte solution, and nonaqueous electrolyte secondary battery MITSUBISHI CHEM CORP 2014-01-01 CN disclosed
US-20130203758-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-08 US disclosed
US-4147884-A Liquid phase oxidation of unsaturated aldehydes to corresponding acids ATLANTIC RICHFIELD COMPANY (US) 1979-04-03 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 (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-20170021013-A1 D-AMINO ACID DERIVATIVE-MODIFIED PEPTIDOGLYCAN AND METHODS OF USE THEREOF DAO, DDOST, DNPEP LPAR1 1542/4885LPAR3 2156/4885CES2 4340/4885
US-20220202837-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP LPAR1 890/4885LPAR3 250/4885CES2 1667/4885
US-20130203758-A1 Compounds for the Treatment of Hepatitis C HAVCR2, SLC10A1, HCCS LPAR1 2006/4885LPAR3 2062/4885CES2 86/4885
US-20200046742-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES PTMS, QPCT, ANPEP LPAR1 890/4885LPAR3 250/4885CES2 1667/4885
US-20200384137-A1 18F LABELING OF PROTEINS USING SORTASES SORT1, ANPEP, SPG11 LPAR1 3208/4885LPAR3 2100/4885CES2 1513/4885
US-20160185823-A1 ANTIMICROBIAL POLYMYXINS FOR TREATMENT OF BACTERIAL INFECTIONS VIP, AQP1, PEF1 LPAR1 3457/4885LPAR3 2783/4885CES2 4819/4885

“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.