SCHEMBL2656944

SCHEMBL2656944

COC(=O)c1ccc(C(=O)C(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
CA12 O43570 2/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 2/20 0.59
CA14 Q9ULX7 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.53
LOXL2 Q9Y4K0 1/20 0.52
KDM4E B2RXH2 2/20 0.49
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
L3MBTL1 Q9Y468 1/20 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
SCHEMBL23600 0.83 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL28993944 0.83 CA1 (0.80) CA1CA2CA12CA7CA9
SCHEMBL10121174 0.83 KDM4E (0.62) CA1CA2CA12CA7CA9
SCHEMBL1147059 0.83 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL27243778 0.83 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL28704033 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
Ammonia Solution, Strong SCHEMBL28873355 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
Water SCHEMBL22720573 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL28531063 0.81 CA1 (0.76) CA1CA2CA12CA7CA9
Methyl Alcohol SCHEMBL28561085 0.81 CA1 (0.76) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117800904-A ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2024-04-02 CN disclosed
CN-113166061-B ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2023-11-21 CN disclosed
US-11661341-B1 Integrated membrane and steam reformer for hydrogen production Archaea Energy, Inc. (US) 2023-05-30 US disclosed
US-11180452-B2 Methods and compositions for selectively inhibiting pathogenic microbes CFD RESEARCH CORPORATION (US) 2021-11-23 US disclosed
CN-113166061-A ROR gamma inhibitors containing sulfonyl structures 正大天晴药业集团股份有限公司 2021-07-23 CN disclosed
US-20200399217-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES CFD RESEARCH CORPORATION 2020-12-24 US disclosed
US-8835441-B2 Heterobicyclic metalloprotease inhibitors AMGEN INC. (US) 2014-09-16 US disclosed
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2012-01-19 US disclosed
US-8076374-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; 3-{4-[1-Allyl-1-(4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoylamino}-propionic acid; ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
US-8076374-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; 3-{4-[1-Allyl-1-(4'-trifluoromethyl-biphenyl-4-yloxymethyl)-but-3-enyl]-benzoylamino}-propionic acid; ELI LILLY AND COMPANY (US) 2011-12-13 US disclosed
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-12-17 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-25 US disclosed
US-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-25 US disclosed
US-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-25 US disclosed
EP-1951659-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-06 EP disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO disclosed
WO-2007114855-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-11 WO disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (8 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-20080319074-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR CA1 3814/4885CA2 2018/4885CA12 3603/4885
US-20090312312-A1 Heterobicyclic Metalloprotease Inhibitors MMP13, TIMP3, MMP3 CA1 350/4885CA2 196/4885CA12 376/4885
US-20120015920-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS MMP13, TIMP3, MMP3 CA1 350/4885CA2 196/4885CA12 376/4885
US-11180452-B2 Methods and compositions for selectively inhibiting pathogenic microbes FPR1, FPR3, ARG1 CA1 1166/4885CA2 82/4885CA12 1300/4885
US-20200399217-A1 METHODS AND COMPOSITIONS FOR SELECTIVELY INHIBITING PATHOGENIC MICROBES FPR1, FPR3, ARG1 CA1 1166/4885CA2 82/4885CA12 1300/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 CA1 3353/4885CA2 3978/4885CA12 4569/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA1 350/4885CA2 196/4885CA12 376/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 CA1 350/4885CA2 196/4885CA12 376/4885

“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.