SCHEMBL3384286

SCHEMBL3384286

NCCNc1cccc2c(S(=O)(=O)O)cccc12.[Na]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA3 P07451 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA5A P35218 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
HSD17B10 Q99714 3/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RECQL P46063 1/20 0.51
IDO1 P14902 3/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 6/20 0.46
HTR6 P50406 2/20 0.45
CYP3A4 P08684 7/20 0.44
CYP2C9 P11712 5/20 0.44
CYP2C19 P33261 5/20 0.44

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
Water SCHEMBL30987561 0.98 CA12 (0.51) CA12CA3CA4CA6CA5A
SCHEMBL29349851 0.98 CA12 (0.54) CA12CA3CA4CA6CA5A
SCHEMBL6254 0.98 CA12 (0.54) CA12CA3CA4CA6CA5A
SCHEMBL3384278 0.97 CA12 (0.53) CA12CA3CA4CA6CA5A
Hydrochloric Acid SCHEMBL14833086 0.97 TSHR (0.55) CA12CA3CA4CA6CA5A
Water SCHEMBL29222618 0.95 CA12 (0.51) CA12CA3CA4CA6CA5A
Isothiocyanate SCHEMBL8518639 0.90 CA12 (0.47) CA12CA3CA4CA6CA5A
SCHEMBL5839020 0.85 CA12 (0.50) CA12CA3CA4CA6CA5A
Edetic Acid SCHEMBL8199947 0.85 CA1 (0.48) CA12CA3CA4CA6CA5A
SCHEMBL30430296 0.85 TTR (0.44) CA12CA3CA4CA6CA5A

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230358677-A1 Reversible Excited-State Photoacids and Photobases as Dynamic Fluorescence Sensors of Protonic Species CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-09 US claimed
CN-113049557-A Multiple fluorescent staining solution for genital secretion and preparation method and application thereof 广州江元医疗科技有限公司 2021-06-29 CN claimed
US-20160152656-A1 Methods of Using Phosphoramidation Reaction for Conjugation-Labeling Nucleic Acids KAOHSIUNG MEDICAL UNIVERSITY (TW) 2016-06-02 US claimed
US-7550447-B2 Method for precipitating nucleic acid with visible carrier MERCK PATENT GMBH (DE) 2009-06-23 US claimed
US-20070178601-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER EMD BIOSCIENCES, INC. 2007-08-02 US claimed
US-7144713-B1 Method for precipitating nucleic acid with visible carrier EMD BIOSCIENCES, INC. (US) 2006-12-05 US claimed
EP-0853680-B1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER EMD BIOSCIENCES INC (US) 2004-03-31 EP claimed
EP-0853680-A4 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN INC (US) 2000-09-13 EP claimed
EP-0853680-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1998-07-22 EP claimed
WO-1997012994-A1 METHOD FOR PRECIPITATING NUCLEIC ACID WITH VISIBLE CARRIER NOVAGEN, INC. (US) 1997-04-10 WO claimed
CN-117903297-A Chemoselective coupling of sulfhydryl groups with alkenyl or alkynyl phosphoramides 柏林合作研究学会 2024-04-19 CN disclosed
US-20230358677-A1 Reversible Excited-State Photoacids and Photobases as Dynamic Fluorescence Sensors of Protonic Species CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-11-09 US disclosed
CN-109689112-B Chemoselective coupling of sulfhydryl groups with alkenyl or alkynyl phosphoramides 柏林合作研究学会 2023-10-13 CN disclosed
CN-116430055-A T cell immunological state marker combination for evaluating chronic pathological state of T lymphocyte of disease and application thereof 中南大学湘雅二医院 2023-07-14 CN disclosed
CN-115667923-A Blood-based complex group controls 贝克顿·迪金森公司 2023-01-31 CN disclosed
CN-113049557-A Multiple fluorescent staining solution for genital secretion and preparation method and application thereof 广州江元医疗科技有限公司 2021-06-29 CN disclosed
US-20160152656-A1 Methods of Using Phosphoramidation Reaction for Conjugation-Labeling Nucleic Acids KAOHSIUNG MEDICAL UNIVERSITY (TW) 2016-06-02 US disclosed
US-8372435-B2 Modular monolayer coatings for selective attachment of nanoparticles to biomolecules PRINCETON UNIVERSITY (US) 2013-02-12 US disclosed
US-20100034742-A1 MODULAR MONOLAYER COATINGS FOR SELECTIVE ATTACHMENT OF NANOPARTICLES TO BIOMOLECULES PRINCETON UNIVERSITY (US) 2010-02-11 US disclosed
WO-2010008826-A1 MODULAR MONOLAYER COATINGS FOR SELECTIVE ATTACHMENT OF NANOPARTICLES TO BIOMOLECULES PRINCETON UNIVERSITY (US) 2010-01-21 WO 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 (1 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-20100034742-A1 MODULAR MONOLAYER COATINGS FOR SELECTIVE ATTACHMENT OF NANOPARTICLES TO BIOMOLECULES PHOSPHO1, EPCAM, EPHA2 CA12 347/4885CA3 1396/4885CA4 2002/4885

“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.