SCHEMBL2069396

SCHEMBL2069396

c1ccc2c(c1)OCCCS2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.48
ICAM1 P05362 1/20 0.48
ITGAL P20701 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43
HTT P42858 1/20 0.43
CTNNB1 P35222 4/20 0.40
WNT3A P56704 4/20 0.40
HPGD P15428 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
OXTR P30559 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
RYR2 Q92736 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4492759 0.94 ITGB2 (0.46) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL255962 0.86 ITGB2 (0.52) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29395580 0.86 ITGB2 (0.52) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL13840320 0.79 SMN1; SMN2 (0.61) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29395105 0.75
SCHEMBL57996 0.75
SCHEMBL9351 0.73 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL29408297 0.73 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2LMNA
SCHEMBL2160748 0.73 HPGD (0.47) CRHBPCRHR2HPGDGAAMEN1
SCHEMBL8023323 0.73 ITGB2 (0.77) ITGB2ICAM1ITGALSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7982054-B2 Process for the synthesis of N-[3-[(2-methoxyphenyl] sulfanyl] -2-methylpropyl] -3,4-dihydro-2H-1,5-benzoxathiepin-3-amine PIERRE FABRE MEDICAMENT (FR) 2011-07-19 US claimed
US-7902381-B2 Synthesising method and benzoxathiepine intermediates PIERRE FABRE MEDICAMENT (FR) 2011-03-08 US claimed
EP-2089374-B1 METHOD FOR THE SYNTHESIS OF N- [3- [ (2-METHOXYPHENYL) SULFANYL] -2- METHYLPROPYL]-3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE PF MEDICAMENT (FR) 2010-08-04 EP claimed
US-20090318709-A1 PROCESS FOR THE SYNTHESIS OF N-[3-[(2-METHOXYPHENYL] SULFANYL] -2-METHYLPROPYL] -3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE. PIERRE FABRE MEDICAMENT (FR) 2009-12-24 US claimed
US-20080234499-A1 Synthesising Method and Benzoxathiepine Intermediates PIERRE FABRE MEDICAMENT (FR) 2008-09-25 US claimed
EP-1735297-B1 SYNTHESISING METHOD AND BENZOXATHIEPINE INTERMEDIATES PF MEDICAMENT (FR) 2007-10-03 EP claimed
EP-1735297-A1 SYNTHESISING METHOD AND BENZOXATHIEPINE INTERMEDIATES PIERRE FABRE MEDICAMENT (FR) 2006-12-27 EP claimed
US-7109234-B2 Benzoxathiepine derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2006-09-19 US claimed
WO-2005103027-A1 SYNTHESISING METHOD AND BENZOXATHIEPINE INTERMEDIATES PIERRE FABRE MEDICAMENT (FR) 2005-11-03 WO claimed
EP-1370547-B1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PF MEDICAMENT (FR) 2004-09-15 EP claimed
US-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines PIERRE FABRE MEDICAMENT (FR) 2004-07-01 US claimed
EP-1370547-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2003-12-17 EP claimed
WO-2002081464-A1 BENZOAXATHIEPIN DERIVATIVES AND THEIR USE AS MEDICINES PIERRE FABRE MEDICAMENT (FR) 2002-10-17 WO claimed
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP claimed
US-8252814-B2 Agents and crystals for improving excretory potency of urinary bladder TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-28 US disclosed
US-7982054-B2 Process for the synthesis of N-[3-[(2-methoxyphenyl] sulfanyl] -2-methylpropyl] -3,4-dihydro-2H-1,5-benzoxathiepin-3-amine PIERRE FABRE MEDICAMENT (FR) 2011-07-19 US disclosed
US-20110130482-A1 Process for preparing armatic thiophenyl ketones PRETOR ROGER 2011-06-02 US disclosed
EP-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed
WO-1999024442-A1 NOVEL SIGNAL TRANSDUCTION INHIBITORS, COMPOSITIONS CONTAINING THEM ARIAD PHARMACEUTICALS, INC. (US) 1999-05-20 WO disclosed
EP-0567090-A2 Benzoxazepine derivatives as cholinesterase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-27 EP 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-20090318709-A1 PROCESS FOR THE SYNTHESIS OF N-[3-[(2-METHOXYPHENYL] SULFANYL] -2-METHYLPROPYL] -3,4-DIHYDRO-2H-1,5-BENZOXATHIEPIN-3-AMINE. HTR3A, DHPS, HTR3C ITGB2 4584/4885ICAM1 4321/4885ITGAL 4705/4885
US-20040127552-A1 Benzoaxathiepin derivatives and their use as medicines CYP4A11, CYP3A4, CYP4F11 ITGB2 4377/4885ICAM1 4719/4885ITGAL 4150/4885
US-20110130482-A1 Process for preparing armatic thiophenyl ketones ACOT7, AGPAT2, COASY ITGB2 3596/4885ICAM1 4846/4885ITGAL 2999/4885
US-20080234499-A1 Synthesising Method and Benzoxathiepine Intermediates CYP2F1, CYP2E1, CBR1 ITGB2 4233/4885ICAM1 4425/4885ITGAL 3911/4885

“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.