SCHEMBL10001191

SCHEMBL10001191

CC(C)(C)C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.69
TTR P02766 3/20 0.69
CXCL8 P10145 3/20 0.69
PTGS1 P23219 2/20 0.69
AKR1B10 O60218 1/20 0.69
UGT1A9 O60656 1/20 0.69
TRPA1 O75762 1/20 0.69
ABCB11 O95342 1/20 0.69
MT-CO2 P00403 1/20 0.69
ALB P02768 1/20 0.69
UGT1A6 P19224 1/20 0.69
UGT1A1 P22309 1/20 0.69
CXCR1 P25024 1/20 0.69
ADRA1A P35348 1/20 0.69
AGTR2 P50052 1/20 0.69
NR1I3 Q14994 1/20 0.69
SLC22A6 Q4U2R8 1/20 0.69
NR1H4 Q96RI1 1/20 0.69
UGT1A7 Q9HAW7 1/20 0.69
UGT1A10 Q9HAW8 1/20 0.69

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
SCHEMBL5533948 0.84 PTGS2 (0.75) PTGS2TTRCXCL8PTGS1AKR1B10
Diclofenac SCHEMBL2799 0.82 PTGS2 (1.00) PTGS2TTRCXCL8PTGS1AKR1B10
SCHEMBL11814221 0.82 PTGS2 (0.77) PTGS2TTRCXCL8PTGS1AKR1B10
Diclofenac SCHEMBL996716 0.82 PTGS2 (1.00) PTGS2TTRCXCL8PTGS1AKR1B10
SCHEMBL4960317 0.82 PTGS2 (0.77) PTGS2TTRCXCL8PTGS1AKR1B10
Diclofenac SCHEMBL29354260 0.82 PTGS2 (1.00) PTGS2TTRCXCL8PTGS1AKR1B10
SCHEMBL10031691 0.81 PTGS2 (0.71) PTGS2TTRCXCL8PTGS1AKR1B10
Diclofenac SCHEMBL6765357 0.81 PTGS2 (0.91) PTGS2TTRCXCL8PTGS1AKR1B10
SCHEMBL22846863 0.81 PTGS2 (0.71) PTGS2TTRCXCL8PTGS1AKR1B10
SCHEMBL30593463 0.81 TTR (0.71) PTGS2TTRCXCL8PTGS1AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230173079-A1 Conjugate Molecules DIVERSE BIOTECH, INC. (US) 2023-06-08 US disclosed
US-20230173079-A1 Conjugate Molecules DIVERSE BIOTECH, INC. (US) 2023-06-08 US disclosed
US-9187427-B2 N-substituted nicotinamide compounds and compositions for the treatment migraine and neurologic diseases CELLIX BIO PRIVATE LIMITED (IN) 2015-11-17 US disclosed
US-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES CELLIX BIO PRIVATE LTD (IN) 2015-10-15 US disclosed
US-20150152060-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT MIGRAINE AND NEUROLOGIC DISEASES CELLIX BIO PRIVATE LIMITED (IN) 2015-06-04 US disclosed
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION KANDULA MAHESH (IN) 2015-05-28 US disclosed
US-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS CELLIX BIO PRIVATE LTD (IN) 2015-05-28 US disclosed
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2015-01-22 US disclosed
US-8575217-B2 Anti-inflammatory and antioxidant conjugates useful for treating metabolic disorders GENMEDICA THERAPEUTICS SL (ES) 2013-11-05 US disclosed
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2013-10-24 US disclosed
US-8093427-B2 Construction and screening of solution-phase derived library of fenbufen and ethacrynic acid NATIONAL TSING HUA UNIVERSITY (TW) 2012-01-10 US disclosed
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID NATIONAL TSING HUA UNIVERSITY (TW) 2011-12-15 US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 US disclosed
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders GENMEDICA THERAPEUTICS SL (ES) 2010-09-16 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 (9 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-20150291590-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES KYNU, TKT, SLC5A1 PTGS2 3327/4885TTR 16/4885CXCL8 4027/4885
US-20130281520-A1 Anti-Inflammatory And Antioxidant Conjugates Useful For Treating Metabolic Disorders HSD17B14, SORD, GPX4 PTGS2 169/4885TTR 837/4885CXCL8 1815/4885
US-20100234452-A1 Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders HSD17B14, SORD, GPX4 PTGS2 169/4885TTR 837/4885CXCL8 1815/4885
US-20150148352-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT ANGINA AND CARDIOVASCULAR CONDITIONS KCNH1, TNNT2, TNNC1 PTGS2 1560/4885TTR 27/4885CXCL8 2456/4885
US-20150148306-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF INFLAMMATION IAPP, TTR, GPR119 PTGS2 2226/4885TTR 2/4885CXCL8 1585/4885
US-20150152060-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT MIGRAINE AND NEUROLOGIC DISEASES PSEN1, APP, PSEN2 PTGS2 590/4885TTR 39/4885CXCL8 2330/4885
US-20110306668-A1 CONSTRUCTION AND SCREENING OF SOLUTION-PHASE DERIVED LIBRARY OF FENBUFEN AND ETHACRYNIC ACID CYP4F2, ACR, CYP4F3 PTGS2 234/4885TTR 2046/4885CXCL8 2704/4885
US-20150025006-A1 Pharmaceutical Combinations Including Anti-Inflammatory and Antioxidant Conjugates Useful for Treating Metabolic Disorders IAPP, AMY2A, GPR119 PTGS2 426/4885TTR 2294/4885CXCL8 180/4885
US-20230173079-A1 Conjugate Molecules CNR2, CNR1, MAG PTGS2 3632/4885TTR 3894/4885CXCL8 3067/4885

“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.