SCHEMBL1650589

SCHEMBL1650589

NS(=O)(=O)Cc1ccc2[nH]ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CYP19A1 P11511 1/20 0.48
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ CYP2A6 P11509 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ AHR P35869 3/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ F7 P08709 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ F3 P13726 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ RAD51 Q06609 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL30155019 1.00 CA1 (0.51) CA1CA2CA9CA12CYP19A1
Sulfuric Acid SCHEMBL1491064 0.95 CA1 (0.48) CA1CA2CA9CA12CYP19A1
Succinic Acid SCHEMBL9706877 0.90 CTNNB1 (0.45) CA1CA2CA9CA12CYP19A1
SCHEMBL1650349 0.83 CA12 (0.49) CA1CA2CA9CA12CYP19A1
SCHEMBL8990514 0.83 EPHX2 (0.53) CA1CA2CA9CA12CYP19A1
SCHEMBL9275073 0.81 CYP19A1 (0.47) CA1CA2CA9CA12CYP19A1
SCHEMBL4414373 0.81 HDAC1 (0.52) CA1CA2CA9CA12CYP19A1
SCHEMBL5918472 0.79 CYP19A1 (0.55) CA1CA2CA9CA12CYP19A1
SCHEMBL27528543 0.79 CA12 (0.48) CA1CA2CA9CA12CYP19A1
SCHEMBL2670006 0.76 CA12 (0.46) CA1CA2CA9CA12CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992012713-A1 COMPOSITIONS GLAXO GROUP LIMITED (GB) 1992-08-06 — — WO claimed
EP-0147107-A1 Indole derivates GLAXO GROUP LIMITED (GB) 1985-07-03 — — EP claimed
CN-102212027-B Preparation method for sumatriptan SUZHOU LAKESTAR PHARMATECH CO LTD 2012-12-12 — — CN disclosed
CN-102212027-A Preparation method for sumatriptan SUZHOU LAKESTAR PHARMATECH CO LTD 2011-10-12 — — CN disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-7862807-B2 Dendrimers as molecular translocators UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2011-01-04 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
US-20090311249-A1 Capecitabine Combination Therapy ARIAD PHARMACEUTICALS, INC. 2009-12-17 — — US disclosed
US-20080221020-A1 Dendrimers as Molecular Translocators THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-11 — — US disclosed
EP-1833824-A1 3-CYCLOALKYLCARBONYL INDOLES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2007-09-19 — — EP disclosed
EP-1545462-A4 DENDRIMERS AS MOLECULAR TRANSLOCATORS UNIV CALIFORNIA (US) 2007-08-08 — — EP disclosed
WO-1998011066-A1 POLYDITHIOCARBAMATE-CONTAINING MACROMOLECULES AND THE USE THEREOF FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS MEDINOX, INC. (US) 1998-03-19 — — WO disclosed
WO-1998009626-A1 METHODS FOR IN VIVO REDUCTION OF IRON LEVELS AND COMPOSITIONS USEFUL THEREFOR MEDINOX, INC. (US) 1998-03-12 — — WO disclosed
WO-1997018805-A1 COMBINATIONAL THERAPEUTIC METHODS EMPLOYING NITRIC OXIDE SCAVENGERS MEDINOX, INC. (US) 1997-05-29 — — WO disclosed
EP-0697869-A1 TRANSDERMAL THERAPEUTIC SYSTEMS FOR THE ADMINISTRATION OF SEROTONIN AGONISTS LTS Lohmann Therapie-Systeme GmbH & Co. KG (DE) 1996-02-28 — — EP disclosed
WO-1996001106-A1 USE OF PHARMACEUTICAL AGENTS FOR ALLEVIATION OR TREATMENT OF THE IMMUNE DYSFUNCTION RELATED TO INFECTION WITH HUMAN IMMUNODEFICIENCY VIRUSES (HIV) OR RELATED VIRUSES HOFMANN BO ARNE (DK) 1996-01-18 — — WO disclosed
EP-0655912-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF ELEVATED INTRAOCULAR PRESSURE GLAXO GROUP LIMITED (GB) 1995-06-07 — — EP disclosed
WO-1994026270-A1 TRANSDERMAL THERAPEUTIC SYSTEMS FOR THE ADMINISTRATION OF SEROTONIN AGONISTS LTS LOHMANN THERAPIE-SYSTEME GMBH & CO. KG (DE) 1994-11-24 — — WO disclosed
WO-1994003162-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF ELEVATED INTRAOCULAR PRESSURE GLAXO GROUP LIMITED (GB) 1994-02-17 — — WO disclosed
WO-1992012712-A1 COMPOSITIONS GLAXO GROUP LIMITED (GB) 1992-08-06 — — 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 (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-20090311249-A1 Capecitabine Combination Therapy RICTOR, MTOR, EIF4E CA1 4199/4885CA2 3100/4885CA9 1468/4885
US-20080221020-A1 Dendrimers as Molecular Translocators SLC29A1, SLC29A2, TSPO CA1 4290/4885CA2 2620/4885CA9 3425/4885

“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.

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