SCHEMBL171310

SCHEMBL171310

CS(=O)(=O)NC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.64
CA7 P43166 3/20 0.64
CA14 Q9ULX7 3/20 0.64
CA1 P00915 2/20 0.64
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL15700804 1.00 CA12 (0.64) CA12CA7CA14CA1CA2
SCHEMBL12845702 1.00 CA12 (0.64) CA12CA7CA14CA1CA2
SCHEMBL14473488 1.00 CA12 (0.64) CA12CA7CA14CA1CA2
SCHEMBL8392362 1.00 CA12 (0.64) CA12CA7CA14CA1CA2
SCHEMBL15632531 1.00 CA12 (0.64) CA12CA7CA14CA1CA2
SCHEMBL19958066 1.00 CA12 (0.64) CA12CA7CA14CA1CA2
SCHEMBL18814195 1.00 CA12 (0.64) CA12CA7CA14CA1CA2
SCHEMBL1679214 0.97 CA12 (0.59) CA12CA7CA14CA1CA2
SCHEMBL1434773 0.92
SCHEMBL2606444 0.91 CA12 (0.54) CA12CA7CA14CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1790639-B1 SPIROCYCLIC COMPOUNDS AND THEIR USE AS CXCR4-ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2014-03-26 EP claimed
WO-2023219007-A1 THERMOSETTING RESIN COMPOSITION, MOLDED ARTICLE, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL 東レ株式会社 2023-11-16 WO disclosed
EP-4198030-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF Shanghaitech University (CN) 2023-06-21 EP disclosed
WO-2023078426-A1 COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE THEREOF 上海优理惠生医药有限公司 2023-05-11 WO disclosed
US-11524961-B2 JAK kinase inhibitor and preparation method and use thereof SHANGHAI LONGWOOD BIOPHARMACEUTICALS CO., LTD. (CN) 2022-12-13 US disclosed
EP-3328843-B1 1,3,4-OXADIAZOLE SULFONAMIDE DERIVATIVE COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITOR, AND THE PHARMACEUTICAL COMPOSITION COMPRISING THE SAME CHONG KUN DANG PHARMACEUTICAL CORP (KR) 2022-10-26 EP disclosed
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2022-05-17 US disclosed
CN-108690006-B Compound and application thereof in anti-AML (AML) drugs 中国药科大学 2022-02-18 CN disclosed
WO-2022033548-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF 上海科技大学 2022-02-17 WO disclosed
CN-113089005-B Electrochemical synthesis method of sulfamide 华南理工大学 2022-02-15 CN disclosed
WO-2006048546-A1 USE OF AN AROMATIC CARBOXYLIC ACID IN AN ASYMMETRIC CATALYSIS REACTION SHASUN PHARMA SOLUTIONS LIMITED (GB) 2006-05-11 WO disclosed
CN-1633412-A Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative SERVIER LAB (FR) 2005-06-29 CN disclosed
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2004-12-09 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP disclosed
US-6706748-B2 USE AS MICROBICIDES NIHON BAYER AGROCHEM, K.K. (JP) 2004-03-16 US disclosed
US-20030220197-A1 Isothiazole derivatives NIHON BAYER AGROCHEM K.K. (JP) 2003-11-27 US disclosed
EP-1284970-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2003-02-26 EP disclosed
WO-2001077090-A2 ISOTHIAZOLE DERIVATIVES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-10-18 WO disclosed
US-4402980-A FUNGICIDES; WOOD PRESERVATIVES BAYER AKTIENGESELLSCHAFT (DE) 1983-09-06 US disclosed
EP-0027622-A1 Cycloalkyl-sulfon amides, process for their preparation, and their microbicidal use BAYER AG (DE) 1981-04-29 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 (4 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-20030220197-A1 Isothiazole derivatives IRF3, MSR1, ARG1 CA12 4198/4885CA7 3428/4885CA14 3414/4885
US-20040248872-A1 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor DDT, WEE1, NOTUM CA12 4177/4885CA7 3016/4885CA14 4173/4885
US-11524961-B2 JAK kinase inhibitor and preparation method and use thereof JAK1, JAK2, JAK3 CA12 4541/4885CA7 2855/4885CA14 4203/4885
US-11331320-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 CA12 4862/4885CA7 4758/4885CA14 4877/4885

“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.