SCHEMBL855233

SCHEMBL855233

COc1ccccc1C(=O)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CTSD P07339 1/20 0.55
STAT3 P40763 1/20 0.51
NPC1 O15118 3/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
ELANE P08246 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8396771 0.85 CTSD (0.51) MAPTNPSR1CTSDSTAT3NPC1
SCHEMBL27586416 0.85 CTSD (0.51) MAPTNPSR1CTSDSTAT3NPC1
SCHEMBL9559943 0.85 CTSD (0.56) MAPTNPSR1CTSDSTAT3NPC1
SCHEMBL27313373 0.83 NPC1 (0.50) MAPTNPSR1CTSDSTAT3NPC1
SCHEMBL12164540 0.82 ELANE (0.49) MAPTNPSR1CTSDHTTELANE
SCHEMBL27758670 0.82 CTSD (0.53) MAPTNPSR1CTSDSTAT3NPC1
SCHEMBL19133153 0.82 ELANE (0.49) MAPTNPSR1CTSDHTTELANE
SCHEMBL9449338 0.82 ELANE (0.49) MAPTNPSR1CTSDHTTELANE
SCHEMBL3990682 0.82 SMN1; SMN2 (0.53) MAPTNPSR1CTSDSTAT3NPC1
SCHEMBL19294157 0.82 ELANE (0.49) MAPTNPSR1CTSDHTTELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG L-Base Co., Ltd. (KR) 2024-06-27 US disclosed
US-10905679-B2 TRPM8 receptor agonist compounds and uses thereof UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2021-02-02 US disclosed
US-10206893-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2019-02-19 US disclosed
US-20190022068-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF UNIVERSIDAD MIGUEL HERNANDEZ DE ELCHE (ES) 2019-01-24 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2018-04-26 US disclosed
US-9828368-B2 Oxazole orexin receptor antagonists MERCK SHARP & DOHME CORP. (US) 2017-11-28 US disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-20170143649-A1 IMMUNOREGULATORY AGENTS FLEXUS BIOSCIENCES INC (US) 2017-05-25 US disclosed
US-9598422-B2 Immunoregulatory agents FLEXUS BIOSCIENCES, INC. (US) 2017-03-21 US disclosed
US-20100286092-A1 BETA-LACTAMASE INHIBITORS NOVARTIS INTERNATIONAL PHARMACEUTICAL, LTD. (BM) 2010-11-11 US disclosed
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2010-10-07 US disclosed
US-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents PLEXXIKON INC. 2010-09-30 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20100120715-A1 BETA-LACTAMASE INHIBITORS PROTEZ PHARMACEUTICALS, INC. 2010-05-13 US disclosed
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression WYETH (US) 2009-12-31 US disclosed
US-20090203663-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2009-08-13 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090111828-A1 L-ALANINE DERIVATIVES ASTRAZENECA AB 2009-04-30 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 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 (15 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-20100249118-A1 protein kinase modulators such as Propane-1-sulfonic acid [2,4-difluoro-3-(5-ethoxy-1H-pyrrolo[1,3-b]pyridine-3-carbonyl)-phenyl]-amide, used to regulate signal transduction cascades, involved in the control of physiological functions including cellular growth and proliferation; anticarcinogenic agents MAP4K1, MAP4K2, MAP3K1 MAPT 4171/4885NPSR1 4289/4885CTSD 3705/4885
US-10206893-B2 Immunoregulatory agents IDO1, IDO2, INMT MAPT 2758/4885NPSR1 813/4885CTSD 2706/4885
US-20190022068-A1 TRPM8 RECEPTOR AGONIST COMPOUNDS AND USES THEREOF TRPM8, TRPM7, TRPM5 MAPT 3950/4885NPSR1 232/4885CTSD 764/4885
US-20170143649-A1 IMMUNOREGULATORY AGENTS IDO1, IDO2, INMT MAPT 2758/4885NPSR1 813/4885CTSD 2706/4885
US-20090325964-A1 Piperazine Metabotropic Glutamate Receptor 5 (MGLUR5) Negative Allosteric Modulators For Anxiety/Depression GRM5, GRIK5, GRM1 MAPT 2108/4885NPSR1 144/4885CTSD 4716/4885
US-20090203663-A1 CHEMICAL COMPOUNDS ITGB5, ITGB1, ITGA2B MAPT 3105/4885NPSR1 2352/4885CTSD 2374/4885
US-10905679-B2 TRPM8 receptor agonist compounds and uses thereof TRPM8, TRPM7, TRPM5 MAPT 3950/4885NPSR1 232/4885CTSD 764/4885
US-20100120715-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB MAPT 3009/4885NPSR1 4268/4885CTSD 1085/4885
US-20180111929-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAPT 2203/4885NPSR1 4558/4885CTSD 2697/4885
US-20090111828-A1 L-ALANINE DERIVATIVES ITGA2B, ITGB1, ITGB5 MAPT 3535/4885NPSR1 4050/4885CTSD 2961/4885
US-20240207355-A1 PHARMACEUTICAL COMPOSITION FOR ENHANCING ANTICANCER EFFECT OF ANTICANCER DRUG ALPG, SLC11A2, SGTA MAPT 1532/4885NPSR1 4292/4885CTSD 825/4885
US-20100256365-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 MAPT 2203/4885NPSR1 4558/4885CTSD 2697/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 MAPT 2813/4885NPSR1 879/4885CTSD 2188/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B MAPT 2795/4885NPSR1 1769/4885CTSD 3524/4885
US-20100286092-A1 BETA-LACTAMASE INHIBITORS GANAB, BPGM, BLVRB MAPT 3009/4885NPSR1 4268/4885CTSD 1085/4885

“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.