SCHEMBL282413

SCHEMBL282413

Nc1nnc(S(N)(=O)=O)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 1.00
CA1 P00915 16/20 1.00
CA9 Q16790 10/20 1.00
CA4 P22748 7/20 1.00
CA12 O43570 5/20 1.00
CA7 P43166 5/20 1.00
CA6 P23280 4/20 1.00
CA5A P35218 4/20 1.00
CA5B Q9Y2D0 4/20 1.00
CA14 Q9ULX7 3/20 1.00
CA13 Q8N1Q1 2/20 1.00
CA3 P07451 3/20 0.46
MEN1 O00255 1/20 0.46
CA11 O75493 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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 SCHEMBL2987404 0.98 CA2 (0.95) CA2CA1CA9CA4CA12
SCHEMBL3500987 0.98 CA2 (0.95) CA2CA1CA9CA4CA12
SCHEMBL9796194 0.84 CA2 (0.71) CA2CA1CA9CA4CA12
SCHEMBL6507990 0.78 CA2 (0.64) CA2CA1CA9CA4CA12
SCHEMBL11169964 0.78 CA2 (0.64) CA2CA1CA9CA4CA12
SCHEMBL2648743 0.78 CA2 (0.64) CA2CA1CA9CA4CA12
SCHEMBL9860007 0.75 CA2 (0.59) CA2CA1CA9CA4CA12
SCHEMBL21267685 0.75 CA2 (0.59) CA2CA1CA9CA4CA12
SCHEMBL22592813 0.73 CA2 (0.58) CA2CA1CA9CA4CA12
SCHEMBL10711085 0.73 CA2 (0.58) CA2CA1CA9CA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119040975-A Additive for electroplating copper, preparation method thereof and electroplating liquid 上海铂仕通新材料科技有限公司 2024-11-29 CN claimed
CN-118922081-A Insect, acarina and nematode pest control 先正达农作物保护股份公司 2024-11-08 CN claimed
CN-116807675-A Method for general anesthesia of pandas 成都大熊猫繁育研究基地 2023-09-29 CN claimed
CN-116655706-A Lipid tetravalent platinum derivative composition and preparation method and application thereof 青岛大学 2023-08-29 CN claimed
CN-114272247-B hypoxia/ROS responsive polymer prodrug for blocking pancreatic duct adenocarcinoma innervation by deep penetration 宁波大学 2023-04-25 CN claimed
CN-115754054-A Method for simultaneously detecting concentrations of three oxazolidinone drugs based on liquid chromatography-mass spectrometry 中国人民解放军总医院 2023-03-07 CN claimed
CN-115697059-A Active compound combinations 拜耳公司 2023-02-03 CN claimed
CN-110790724-B Selective carbonic anhydrase inhibitor and synthesis method and application thereof 中山大学 2023-01-31 CN claimed
CN-113024617-B N-aryl sulfonamide-N-beta-D-glucopyranose diamide compounds and application thereof 沈阳药科大学 2022-09-13 CN claimed
CN-115003674-A Use of pyrido [1,2-a ] pyrimidone compounds for the treatment of lymphomas 正大天晴药业集团股份有限公司 2022-09-02 CN claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
EP-1697302-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS University of Louisville Research Foundation (US) 2006-09-06 EP claimed
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-08-17 US claimed
WO-2006084634-A1 PYRAZOLO-PYRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-08-17 WO claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
WO-2005066114-A1 COMPOUNDS FOR DIAGNOSIS, TREATMENT AND PREVENTION OF BONE INJURY AND METABOLIC DISORDERS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION (US) 2005-07-21 WO claimed
US-20050143366-A1 Compounds for diagnosis, treatment and prevention of bone injury and metabolic disorders UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION, INC. 2005-06-30 US claimed
US-5288735-A Water soluble carbonic anhydrase inhibitor TRAGER SEYMOUR F (US) 1994-02-22 US claimed
US-4975446-A WATER SOLUBLE CARBONIC ANHYDRASE INHIBITOR; 1,3,4-THIADIAZOLE DERIVATIVES TRAGER SEYMOUR F (US) 1990-12-04 US claimed
US-4562260-A OXIDATIVE-CHLORINATION IN ACID SOLUTION WITH INORGANIC SALT AND EXCESS CHLORINE AND PURGING EXCESS CHLORINE UNION CARBIDE CORPORATION (US) 1985-12-31 US claimed

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-20050143366-A1 Compounds for diagnosis, treatment and prevention of bone injury and metabolic disorders SOST, BMP2, BMP4 CA2 1902/4885CA1 2975/4885CA9 1717/4885
US-20060183756-A1 Pyrrazolo-pyrimidine derivatives GRM1, GRM2, GRM3 CA2 2897/4885CA1 3719/4885CA9 4705/4885

“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.