SCHEMBL1457933

SCHEMBL1457933

O=S(=O)(CCc1ccc2[nH]ccc2c1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ SLC6A2 P23975 4/20 0.44
▸ SLC6A3 Q01959 4/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ HTR1B P28222 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ CTNNB1 P35222 1/20 0.43
▸ WNT3A P56704 1/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CA12 O43570 1/20 0.41

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
SCHEMBL15428344 0.80 SLC6A2 (0.37) CYP19A1HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL4566612 0.80 CYP19A1 (0.45) CYP19A1HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL9269708 0.79 HDAC1 (0.51) CYP19A1HDAC1HDAC8CTNNB1WNT3A
SCHEMBL28853829 0.79 PTGS2 (0.53) CYP19A1HDAC1HDAC8CA12CA1
SCHEMBL1650349 0.79 CA12 (0.49) CYP19A1HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL12384488 0.79 HDAC1 (0.57) CYP19A1HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL6099420 0.78 NPC1 (0.55) CYP19A1HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL14207475 0.77 CYP19A1 (0.45) CYP19A1HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL4414373 0.77 HDAC1 (0.52) CYP19A1HDAC1HDAC8SLC6A2SLC6A3
SCHEMBL8666600 0.76 HDAC1 (0.55) CYP19A1HDAC1HDAC8NPC1CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents ON TARGET THERAPEUTICS LLC (US) 2022-02-22 — — US disclosed
US-20190135882-A1 Methods and Systems for Designing and/or Characterizing Soluble Lipidated Ligand Agents ON TARGET THERAPEUTICS LLC 2019-05-09 — — US disclosed
US-8633239-B2 Process for the preparation of eletriptan BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-01-21 — — US disclosed
US-8633239-B2 Process for the preparation of eletriptan BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2014-01-21 — — US disclosed
EP-2349998-B1 A NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PVT LTD (IN) 2013-07-17 — — EP disclosed
EP-2349998-B1 A NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PVT LTD (IN) 2013-07-17 — — EP disclosed
CN-102414198-A Synthesis of 3- { [ (2R) -1-methylpyrrolidin-2-yl ] methyl } -5- [2- (phenylsulfonyl) ethyl ] -1H-indole ITALIANA SINT SPA 2012-04-11 — — CN disclosed
WO-2012004811-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTSITUTED INDOLE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-01-12 — — WO disclosed
US-20110207943-A1 NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2011-08-25 — — US disclosed
US-20110207943-A1 NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN BIOPHORE INDIA PHARMACEUTICALS PRIVATE LIMITED (IN) 2011-08-25 — — US disclosed
EP-2349998-A2 A NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN Biophore India Pharmaceuticals Pvt. Ltd. (IN) 2011-08-03 — — EP disclosed
US-20110166364-A1 SYNTHESIS OF 3--5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2011-07-07 — — US disclosed
WO-2011024039-A1 SYNTHESIS OF NOVEL 5-(2-(PHENYLSULFONYL)ETHYL)-1H-INDOLE DERIVATIVES POTLURI RAMESH BABU (IN) 2011-03-03 — — WO disclosed
WO-2011024039-A1 SYNTHESIS OF NOVEL 5-(2-(PHENYLSULFONYL)ETHYL)-1H-INDOLE DERIVATIVES POTLURI RAMESH BABU (IN) 2011-03-03 — — WO disclosed
WO-2011024039-A1 SYNTHESIS OF NOVEL 5-(2-(PHENYLSULFONYL)ETHYL)-1H-INDOLE DERIVATIVES POTLURI RAMESH BABU (IN) 2011-03-03 — — WO disclosed
WO-2010049952-A2 A NOVEL PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED INDOLE DERIVATIVES BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2010-05-06 — — WO disclosed
WO-2010049952-A2 A NOVEL PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED INDOLE DERIVATIVES BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2010-05-06 — — 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 (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-11254720-B2 Methods and systems for designing and/or characterizing soluble lipidated ligand agents LDLR, HDLBP, LIPG CYP19A1 2915/4885HDAC1 2711/4885HDAC8 2011/4885
US-20190135882-A1 Methods and Systems for Designing and/or Characterizing Soluble Lipidated Ligand Agents LDLR, HDLBP, LIPG CYP19A1 2915/4885HDAC1 2711/4885HDAC8 2011/4885
US-20110207943-A1 NOVEL PROCESS FOR THE PREPARATION OF ELETRIPTAN HTR3C, HTR3A, HTR1A CYP19A1 722/4885HDAC1 1433/4885HDAC8 1110/4885
US-20110166364-A1 SYNTHESIS OF 3--5-[2-(PHENYLSULFONYL)ETHYL]-1H-INDOLE TMPRSS15, PEPD, DPP9 CYP19A1 1254/4885HDAC1 328/4885HDAC8 908/4885

“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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