SCHEMBL481332

SCHEMBL481332

CCOC(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.61
CA2 P00918 3/20 0.61
CA12 O43570 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
MAOA P21397 1/20 0.59
HTT P42858 3/20 0.59
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HPGD P15428 5/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51

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 SCHEMBL10669311 0.98 SMN1; SMN2 (0.59) CA1CA2CA12CA7CA9
SCHEMBL4911071 0.88 KMT2A (0.68) CA1CA2CA12CA9SMN1; SMN2
SCHEMBL2235354 0.85 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2170299 0.85 CA12 (0.61) CA1CA2CA12CA7CA9
SCHEMBL128190 0.84 CA1 (0.70) CA1CA2CA12CA7CA9
Benzene SCHEMBL27873122 0.84 CA1 (0.76) CA1CA2CA12CA7CA9
SCHEMBL87450 0.84 CA1 (0.83) CA1CA2CA12CA7CA9
SCHEMBL23847827 0.84 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL10635300 0.84 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL19359211 0.83 SMN1; SMN2 (0.63) 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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111249408-A Swelling-diminishing gel and preparation method thereof 罗华云 2020-06-09 CN claimed
US-4567004-A Process for the preparation of monomethyl-substituted methylene compounds BAYER AKTIENGESELLSCHAFT (DE) 1986-01-28 US claimed
CN-111249408-A Swelling-diminishing gel and preparation method thereof 罗华云 2020-06-09 CN disclosed
CN-111249408-A Swelling-diminishing gel and preparation method thereof 罗华云 2020-06-09 CN disclosed
CN-103181923-B Pharmaceutical preparation comprising Repaglinide and preparation method thereof 北京韩美药品有限公司 2017-10-27 CN disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-9717706-B2 Chromone inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2017-08-01 US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
US-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC 2015-12-10 US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
US-4735959-A HYPOGLYCEMIC AGENTS DR. KARL THOMAE GMBH (DE) 1988-04-05 US disclosed
EP-0099017-B1 PHENYL-ACETIC-ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSTIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1988-03-02 EP disclosed
US-4567004-A Process for the preparation of monomethyl-substituted methylene compounds BAYER AKTIENGESELLSCHAFT (DE) 1986-01-28 US disclosed
EP-0058779-B1 CARBOXAMIDES, THEIR PREPARATION AND THEIR USE AS MEDICINES Dr. Karl Thomae GmbH (DE) 1984-09-19 EP disclosed
EP-0099017-A2 Phenyl-acetic-acid derivatives, their preparation and pharmaceutical compostions containing them Dr. Karl Thomae GmbH (DE) 1984-01-25 EP disclosed
EP-0058779-A2 Carboxamides, their preparation and their use as medicines Dr. Karl Thomae GmbH (DE) 1982-09-01 EP 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 (2 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-20150352073-A1 Chromone Inhibitors of S-Nitrosoglutathione Reductase POR, GSR, CBR1 CA1 4255/4885CA2 2570/4885CA12 4712/4885
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof F2, HYPK, F10 CA1 288/4885CA2 1021/4885CA12 1070/4885

“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.