SCHEMBL506101

SCHEMBL506101

O=S(=O)(O)c1ccc(Cl)cc1.O=S(=O)(O)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.50
▸ EGFR P00533 2/20 0.50
▸ ERBB2 P04626 2/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ KMT2A Q03164 2/20 0.47
▸ PSEN1 P49768 3/20 0.47
▸ PSEN2 P49810 3/20 0.47
▸ APH1B Q8WW43 3/20 0.47
▸ NCSTN Q92542 3/20 0.47
▸ APH1A Q96BI3 3/20 0.47
▸ PSENEN Q9NZ42 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CA1 P00915 3/20 0.47
▸ CA2 P00918 3/20 0.47
▸ MMP1 P03956 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ MMP9 P14780 2/20 0.47

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
SCHEMBL8477054 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPK1LMNAKMT2A
SCHEMBL26836 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPK1LMNAKMT2A
SCHEMBL8746207 0.89 ALDH1A1 (0.62) ALDH1A1CYP3A4MAPK1LMNAKMT2A
SCHEMBL66196 0.89 LMNA (0.59) ALDH1A1LMNAKMT2ASMN1; SMN2CA1
SCHEMBL6114756 0.86 LMNA (0.56) ALDH1A1LMNAKMT2ASMN1; SMN2CA1
Fluoride SCHEMBL11757338 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1LMNAKMT2A
Hydrochloric Acid SCHEMBL1328015 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1LMNAKMT2A
SCHEMBL6909666 0.86 LMNA (0.56) ALDH1A1LMNAKMT2ASMN1; SMN2CA1
SCHEMBL6908827 0.86 ALDH1A1 (0.59) ALDH1A1CYP3A4MAPK1LMNAKMT2A
SCHEMBL6916646 0.86 LMNA (0.56) ALDH1A1LMNAKMT2ASMN1; SMN2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350009-B1 SULFONATE SALTS OF FLUPIRTINE TEVA GMBH (DE) 2016-03-16 — — EP disclosed
US-8222282-B2 Sulfonate salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine TEVA PHARMACEUTICALS USA, INC. (US) 2012-07-17 — — US disclosed
US-20120028930-A1 FLUPIRTINE SALTS AND POLYMORPHS BIONEVIA PHARMACEUTICALS INC. (US) 2012-02-02 — — US disclosed
US-20090318506-A1 Sulfonate salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine AWD. PHARMA GMBH & CO. KG (DE) 2009-12-24 — — 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 (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-20090318506-A1 Sulfonate salts of 2-amino-3-carbethoxyamino-6-(4-fluoro-benzylamino)-pyridine SSTR3, NPSR1, SSTR2 BRAF 638/4885ALDH1A1 1853/4885EGFR 795/4885
US-20120028930-A1 FLUPIRTINE SALTS AND POLYMORPHS SULT2A1, TACR1, NPSR1 BRAF 732/4885ALDH1A1 1002/4885EGFR 1731/4885

“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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