SCHEMBL37687

SCHEMBL37687

O=[N+]([O-])c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.62
CA2 P00918 6/20 0.62
CA9 Q16790 5/20 0.62
HTT P42858 1/20 0.57
CA5A P35218 2/20 0.50
HSPB1 P04792 1/20 0.50
CA12 O43570 3/20 0.48
ALDH1A1 P00352 3/20 0.46
CA7 P43166 2/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
HSP90AA1 P07900 1/20 0.46
LMNA P02545 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45

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
Iodobenzene SCHEMBL2903524 0.89 HTT (0.55) CA1CA2CA9HTTCA5A
SCHEMBL9085552 0.85 CA12 (0.71) CA1CA2CA9HTTCA12
SCHEMBL4362672 0.83 CA1 (0.56) CA1CA2CA9HTTCA5A
SCHEMBL576035 0.82 CA2 (0.50) CA1CA2CA9HSD11B1
SCHEMBL4369189 0.82 CA2 (0.54) CA1CA2CA9HTTCA5A
SCHEMBL3141207 0.81 HSPB1 (0.44) CA1CA2CA9HTTCA5A
SCHEMBL11704991 0.81 CA1 (0.67) CA1CA2CA9HTTCA5A
SCHEMBL17318171 0.81 CA1 (0.67) CA1CA2CA9HTTCA5A
SCHEMBL866410 0.80 CA1 (0.71) CA1CA2CA9HTTCA5A
SCHEMBL29832245 0.80 PDE4A (0.55) CA1CA2CA9HTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090654-B1 METHODS, PROCESSES AND INTERMEDIATES FOR PREPARING CHROMAN COMPOUNDS LUPIN LTD (IN) 2025-07-09 EP claimed
US-12344592-B2 Methods, processes and intermediates for preparing chroman compounds LUPIN LIMITED (IN) 2025-07-01 US claimed
CN-114981253-B Process and intermediates for preparing chroman compounds and methods therefor 印度鲁宾有限公司 2024-06-18 CN claimed
EP-3613070-B1 PHOTOPATTERNABLE FILM UNIV CHICAGO (US) 2023-10-18 EP claimed
CN-110832618-B Photoactive inorganic ligand-capped inorganic nanocrystals 芝加哥大学 2023-09-12 CN claimed
US-11720017-B2 Photoactive, inorganic ligand-capped inorganic nanocrystals THE UNIVERSITY OF CHICAGO (US) 2023-08-08 US claimed
US-20230140054-A1 METHODS, PROCESSES AND INTERMEDIATES FOR PREPARING CHROMAN COMPOUNDS LUPIN LIMITED (IN) 2023-05-04 US claimed
EP-4090654-A1 METHODS, PROCESSES AND INTERMEDIATES FOR PREPARING CHROMAN COMPOUNDS Lupin Limited (IN) 2022-11-23 EP claimed
CN-114981253-A Process and intermediates for preparing chroman compounds and methods therefor 印度鲁宾有限公司 2022-08-30 CN claimed
WO-2022168122-A1 PROCESSES FOR THE PREPARATION OF 6-(2-HYDROXY-2-METHYLPROPOXY)-4-(6-(6-((6-METHOXYPYRIDIN-3-YL)METHYL)-3,6-DIAZABICYCLO[3.1.1]HEPTAN-3-YL)PYRIDIN-3-YL)PYRAZOLO[1,5-A]PYRIDINE-3-CARBONITRILE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2022-08-11 WO claimed
US-20180334464-A1 Process for the Synthesis of Substituted Morphinans JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-11-22 US claimed
EP-2590649-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHINANS Alkermes Pharma Ireland Limited (IE) 2013-05-15 EP claimed
EP-1937689-B1 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDINS SUCH AS ECTEINASCIDINS 583 AND 597 USING SUCH INTERMEDIATE CENTRE NAT RECH SCIENT (FR) 2012-04-18 EP claimed
WO-2012005795-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED MORPHINANS ALKERMES, INC. (US) 2012-01-12 WO claimed
US-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-07-02 US claimed
CN-100457713-C Method for prudicing amino-diphenylamine BAYER AG (DE) 2009-02-04 CN claimed
EP-1937689-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE Centre National de la Recherche Scientifique (FR) 2008-07-02 EP claimed
EP-1792904-A1 Intermediate and process of preparation of ecteinascidin using such intermediate Centre National de la Recherche Scientifique (CNRS) (FR) 2007-06-06 EP claimed
WO-2007045686-A2 INTERMEDIATE AND PROCESS OF PREPARATION OF ECTEINASCIDIN SUCH AS ECTEINASCIDINES-583, 597 USING SUCH INTERMEDIATE CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-04-26 WO claimed
CN-1517332-A Method for prudicing amino-diphenylamine 2004-08-04 CN 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 (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-20230140054-A1 METHODS, PROCESSES AND INTERMEDIATES FOR PREPARING CHROMAN COMPOUNDS CASR, CALCR, RYR1 CA1 526/4885CA2 24/4885CA9 572/4885
US-20180334464-A1 Process for the Synthesis of Substituted Morphinans CYP1B1, CYP2F1, CYP1A2 CA1 1022/4885CA2 1214/4885CA9 1447/4885
US-20090171080-A1 Intermediate and Process of Preparation of Ecteinascidin Such as Ecteinascidines-583,597 Using Such Intermediate MMP7, CCR7, AREG CA1 3870/4885CA2 4422/4885CA9 4048/4885
US-12344592-B2 Methods, processes and intermediates for preparing chroman compounds CASR, CALCR, RYR1 CA1 526/4885CA2 24/4885CA9 572/4885

“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.