SCHEMBL11468455

SCHEMBL11468455

CNCc1ccccc1CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.55
TDP1 Q9NUW8 1/20 0.48
PTGS2 P35354 3/20 0.47
BCAT2 O15382 1/20 0.47
CXCL8 P10145 3/20 0.46
CFD P00746 1/20 0.44
CYP19A1 P11511 1/20 0.44
NR1H4 Q96RI1 2/20 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
AKR1B10 O60218 1/20 0.44
UGT1A9 O60656 1/20 0.44
TRPA1 O75762 1/20 0.44
ABCB11 O95342 1/20 0.44
MT-CO2 P00403 1/20 0.44
TTR P02766 1/20 0.44

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
Hydrochloric Acid SCHEMBL11484601 0.98 AKR1B1 (0.53) AKR1B1TDP1PTGS2BCAT2CXCL8
Iodide SCHEMBL31305035 0.85 AKR1B1 (0.73) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL10331853 0.84 L3MBTL1 (0.46) AKR1B1KDM4ECYP3A4MAPTSLC6A2
Methyl Alcohol SCHEMBL28299530 0.83 AKR1B1 (0.70) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL30359 0.82 AKR1B1 (0.76) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL29410826 0.82 AKR1B1 (0.76) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL13136706 0.81 AKR1B1 (0.52) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL13136705 0.81 KEAP1 (0.48) ADRA1AKDM4ECYP3A4MAPTSLC6A2
Hydrochloric Acid SCHEMBL6767821 0.80 AKR1B1 (0.73) AKR1B1TDP1PTGS2BCAT2CXCL8
SCHEMBL28842838 0.80 AKR1B1 (0.73) AKR1B1TDP1PTGS2BCAT2CXCL8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-54138536-A None JP disclosed
US-20240025930-A1 SMALL MOLECULE INHIBITORS SELECTIVE FOR POLO-LIKE KINASE PROTEIN UNIVERISTY OF SOUTH CAROLINA 2024-01-25 US disclosed
US-11873291-B2 Quinoline cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2024-01-16 US disclosed
WO-2021202600-A1 SMALL MOLECULE INHIBITORS OF INFLUENZA HEMAGGLUTININ THE SCRIPPS RESEARCH INSTITUTE (US) 2021-10-07 WO disclosed
WO-2019168654-A9 DNA-TEMPLATED MACROCYCLE LIBRARY PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-10-17 WO disclosed
US-10188653-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2019-01-29 US disclosed
EP-3119757-B1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC AND RELATED DISORDERS PFIZER (US) 2018-05-16 EP disclosed
US-20180042926-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2018-02-15 US disclosed
US-9789110-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2017-10-17 US disclosed
US-20160303125-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2016-10-20 US disclosed
US-9440949-B2 Diacylglycerol acyltransferase 2 inhibitors PFIZER INC. (US) 2016-09-13 US disclosed
WO-2015140658-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS FOR USE IN THE TREATMENT OF METABOLIC AND RELATED DISORDERS PFIZER INC. (US) 2015-09-24 WO disclosed
US-20150259323-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS PFIZER INC. (US) 2015-09-17 US disclosed
EP-2414350-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-11-12 EP disclosed
WO-2010117635-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-14 WO disclosed
US-4198506-A INTERMEDIATES FOR THE CORRESPONDING 3-SUBSTITUTED 3-CEPHEM-4-CARBOXYLIC ACIDS BRISTOL-MYERS COMPANY (US) 1980-04-15 US disclosed
JP-S54138536-A O-(N-SUBSTITUTED AMINOMETHYL)PHENYLACETICACID AND ITS PREPARATION BANYU PHARMACEUT CO LTD 1979-10-27 JP disclosed
US-4151352-A CEPHALOSPORINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1979-04-24 US disclosed
US-4100346-A Certain 7(o-amino-methyl- or methylaminomethylphenyl- or cyclohexadienyl- or thienylacetamide)-3[1-carboxymethyl-(or ethyl- or propyl-)-tetrazol-5-ylthiomethyl]-3-cephem-4-carboxylic acids BRISTOL-MYERS COMPANY (US) 1978-07-11 US disclosed
US-4082912-A ANTIBACTERIAL BRISTOL-MYERS COMPANY (US) 1978-04-04 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-20150259323-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, LCLAT1, DGAT1 AKR1B1 1783/4885TDP1 694/4885PTGS2 811/4885
US-11873291-B2 Quinoline cGAS antagonist compounds CGAS, GLS2, GLS AKR1B1 3777/4885TDP1 69/4885PTGS2 959/4885
US-10188653-B2 Diacylglycerol acyltransferase 2 inhibitors DGAT2, LCLAT1, DGAT1 AKR1B1 1783/4885TDP1 694/4885PTGS2 811/4885
US-20240025930-A1 SMALL MOLECULE INHIBITORS SELECTIVE FOR POLO-LIKE KINASE PROTEIN PLK2, PLK4, PLK3 AKR1B1 3393/4885TDP1 714/4885PTGS2 3325/4885
US-20160303125-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, LCLAT1, DGAT1 AKR1B1 1783/4885TDP1 694/4885PTGS2 811/4885
US-20180042926-A1 DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITORS DGAT2, LCLAT1, DGAT1 AKR1B1 1783/4885TDP1 694/4885PTGS2 811/4885

“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.