SCHEMBL742618

SCHEMBL742618

O=S(=O)(c1cccc(C(F)(F)F)c1)n1cc2c3c(cccc31)CNCC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.55
ASIC3 Q9UHC3 1/20 0.46
CYP3A4 P08684 2/20 0.43
HTR2C P28335 2/20 0.42
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
HTT P42858 1/20 0.41
CNR1 P21554 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
Trifluoroacetic Acid SCHEMBL744076 0.94 HTR6 (0.50) HTR6ASIC3CYP3A4HTR2CHTR2A
SCHEMBL741800 0.89 HTR6 (0.52) HTR6ASIC3CYP3A4HTR2CHTR2A
SCHEMBL742225 0.87 HTR6 (0.55) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL743065 0.85 HTR6 (0.42) HTR6CYP3A4HTR2C
SCHEMBL742112 0.85 HTR6 (0.58) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL744445 0.84 HTR6 (0.61) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL14070202 0.84 HTR6 (0.47) HTR6CYP3A4HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL743069 0.84 HTR6 (0.49) HTR6CYP3A4HTR2CHTR2AHTR2B
SCHEMBL742660 0.83 HTR6 (0.53) HTR6CYP3A4HTR2CHTR2AHTR2B
Trifluoroacetic Acid SCHEMBL743367 0.83 HTR6 (0.47) HTR6CYP3A4HTR2CHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024115549-A1 ARYL- AND HETEROARYL-SULFONAMIDE DERIVATIVES AS CCR8 MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-06 WO claimed
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
CN-111529526-A Application of compound in preparation of medicine for treating acute pancreatitis 广州领晟医疗科技有限公司 2020-08-14 CN claimed
CN-111514137-A Application of compound in preparation of medicine for treating acute lung injury 广州领晟医疗科技有限公司 2020-08-11 CN claimed
EP-2137163-B1 INHIBITORS OF PROTEIN KINASES ASTRAZENECA AB (SE) 2015-03-18 EP claimed
US-20150011576-A1 Inhibitors of Protein Kinases ASTRAZENECA AB (SE) 2015-01-08 US claimed
US-8841315-B2 Inhibitors of protein kinases ASTRAZENECA AB (SE) 2014-09-23 US claimed
US-8809526-B2 Synthesis of cyclopentaquinazolines ONYX PHARMACEUTICALS, INC. (US) 2014-08-19 US claimed
US-20130331407-A1 INHIBITORS OF PROTEIN KINASES INGENIUM PHARMACEUTICALS GMBH (DE) 2013-12-12 US claimed
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-11 US claimed
US-6670334-B2 Antiinflammatory agent UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2003-12-30 US claimed
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-11 US claimed
US-20020111327-A1 Method and compositions for treating the inflammatory response VIRGINIA, UNIVERSITY OF 2002-08-15 US claimed
EP-0651027-B1 Azodyestuffs of the stilbene series CLARIANT FINANCE BVI LTD (VG) 1999-08-18 EP claimed
EP-0779888-B1 PYRIMIDO [5,4-D]PYRIMIDINES, DRUGS CONTAINING THESE COMPOUNDS, THEIR USE, AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM PHARMA (DE) 1999-04-28 EP claimed
EP-0679173-B1 AZO COMPOUND ZENECA LTD (GB) 1997-12-03 EP claimed
EP-0651027-A1 Disazo dyestuffs of the stilbene series SANDOZ LTD. (CH) 1995-05-03 EP claimed
WO-1994016021-A1 AZO COMPOUND ZENECA LIMITED (GB) 1994-07-21 WO claimed
EP-0559371-A1 Method of reducing the concentration of a liquid resin in an aqueous composition THE DOW CHEMICAL COMPANY (US) 1993-09-08 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20130331407-A1 INHIBITORS OF PROTEIN KINASES CDK1, CDK2, CDK5 HTR6 3573/4885ASIC3 3809/4885CYP3A4 4636/4885
US-20020111327-A1 Method and compositions for treating the inflammatory response PDE4A, PDE7A, PDE2A HTR6 823/4885ASIC3 1604/4885CYP3A4 1493/4885
US-20150011576-A1 Inhibitors of Protein Kinases CDK1, CDK2, CDK5 HTR6 3573/4885ASIC3 3809/4885CYP3A4 4636/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 HTR6 97/4885ASIC3 4027/4885CYP3A4 255/4885
US-20030171359-A1 Suitable for treatment of illnesses characterised by excessive or abnormal cell proliferation; viral, bacterial, fungal and/or parasitic infections, skin diseases, bone diseases, cardiovascular diseases COL1A1, MKI67, INSR HTR6 2722/4885ASIC3 4048/4885CYP3A4 885/4885
US-20040048880-A1 Bicyclic heterocyclic compounds, pharmaceutical compositions containing these compounds, their use and process for preparing them CYP11B1, AR, CYP11B2 HTR6 2319/4885ASIC3 1592/4885CYP3A4 879/4885

“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.