SCHEMBL2979778

SCHEMBL2979778

O=c1ccc2cc(S(=O)(=O)O)ccc2o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
CA12 O43570 3/20 0.58
CA9 Q16790 3/20 0.58
MCL1 Q07820 2/20 0.58
PKM P14618 9/20 0.55
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 3/20 0.53
CA2 P00918 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
CA14 Q9ULX7 1/20 0.53
CA5B Q9Y2D0 1/20 0.53
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
MAPT P10636 2/20 0.50

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
SCHEMBL30422848 1.00 SMN1; SMN2 (0.60) SMN1; SMN2CA12CA9MCL1PKM
Hydrochloric Acid SCHEMBL27759424 0.98 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA9MCL1PKM
SCHEMBL5866898 0.87 GLA (0.58) SMN1; SMN2CA12CA9MCL1KMT2A
SCHEMBL2799834 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA9MCL1PKM
SCHEMBL1743537 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA9MCL1PKM
SCHEMBL31287831 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA9MCL1PKM
SCHEMBL28781641 0.77 PKM (0.56) SMN1; SMN2CA12CA9MCL1PKM
SCHEMBL300937 0.76 SNCA (0.62) SMN1; SMN2CA12ALDH1A1CA2CA7
SCHEMBL30233294 0.76 SNCA (0.62) SMN1; SMN2CA12ALDH1A1CA2CA7
SCHEMBL305423 0.76 SNCA (0.62) SMN1; SMN2CA12ALDH1A1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101454289-B Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR 2012-07-04 CN claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP claimed
US-8084448-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US claimed
US-7863289-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-04 US claimed
CN-101668757-A Pyrrolo [2, 3-b] pyridine derivatives as kinase modulators PLEXXIKON INC 2010-03-10 CN claimed
EP-2097414-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2009-09-09 EP claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US claimed
US-20090181928-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-07-16 US claimed
CN-101454289-A Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR (ES) 2009-06-10 CN claimed
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP claimed
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 EP claimed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 US claimed
WO-2008079906-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO claimed
WO-2008050200-A1 OXADIAZOLE COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-05-02 WO claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO claimed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 WO claimed
CN-101454289-B Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR 2012-07-04 CN disclosed
CN-1726218-A Pyrrolopyrimidine derivatives PFIZER PROD INC (US) 2006-01-25 CN disclosed
US-20050037999-A1 Pyrrolopyrimidine derivatives PFIZER INC 2005-02-17 US 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-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 SMN1; SMN2 1839/4885CA12 4791/4885CA9 4675/4885
US-20050037999-A1 Pyrrolopyrimidine derivatives CCNA1, CCNT1, TP53 SMN1; SMN2 3651/4885CA12 3984/4885CA9 2834/4885
US-20090181928-A1 ORGANIC COMPOUNDS PTPRS, PTPRO, PTPRC SMN1; SMN2 1590/4885CA12 3943/4885CA9 2368/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 SMN1; SMN2 4285/4885CA12 4805/4885CA9 4842/4885

“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.