SCHEMBL442392

SCHEMBL442392

O=S(=O)(c1ccccc1)n1[c]cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 7/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
CXCL8 P10145 1/20 0.41
NOD1 Q9Y239 1/20 0.41
SLC9A1 P19634 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
MMP2 P08253 1/20 0.38
PARL Q9H300 1/20 0.38

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
SCHEMBL927442 0.87 GAA (0.49) HTR6HTTALDH1A1LMNAHPGD
SCHEMBL10768316 0.83 CXCL8 (0.50) HTR6MEN1HTTKMT2AALDH1A1
SCHEMBL28775093 0.81 PPARG (0.48) HTR6MEN1HTTKMT2AALDH1A1
SCHEMBL28927540 0.81 MEN1 (0.39) HTR6MEN1HTTKMT2AALDH1A1
SCHEMBL3624022 0.77 CA1 (0.42) HTR6MEN1HTTKMT2ACA2
SCHEMBL28410334 0.75 HTR6 (0.34) HTR6MEN1HTTKMT2AALDH1A1
SCHEMBL1642678 0.68 DAO (0.39) HTR6MEN1HTTKMT2AALDH1A1
SCHEMBL29558135 0.67 HTR6 (1.00) HTR6MEN1HTTKMT2AALDH1A1
SCHEMBL429849 0.67 HTR6 (1.00) HTR6MEN1HTTKMT2AALDH1A1
SCHEMBL10291046 0.67 CA12 (0.55) HTR6MEN1HTTKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104114169-A Combination of CRTH2 antagonist and a proton pump inhibitor for the treatment of eosinophilic esophagitis ATOPIX THERAPEUTICS LTD 2014-10-22 CN claimed
EP-2325186-B1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS LLC (US) 2014-10-08 EP claimed
US-8796455-B2 Fused bicyclic mTOR inhibitors OSI Pharmaceuticals, LLC (US) 2014-08-05 US claimed
US-8586546-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2013-11-19 US claimed
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS OSI Pharmaceuticals, LLC 2013-06-27 US claimed
US-8314111-B2 Fused bicyclic motor inhibitors OSI Pharmaceuticals, LLC (US) 2012-11-20 US claimed
US-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors OSI PHARMACEUTICALS, LLC. 2012-08-16 US claimed
EP-2459191-A1 MTOR INHIBITOR AND ANGIOGENESIS INHIBITOR COMBINATION THERAPY OSI Pharmaceuticals, LLC (US) 2012-06-06 EP claimed
US-8114846-B2 Combined treatment with an EGFR kinase inhibitor and an agent that sensitizes tumor cells to the effects of EGFR kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-02-14 US claimed
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors OSI Pharmaceuticals, LLC 2011-09-08 US claimed
EP-2325186-A2 Fused Bicyclic mTor Inhibitors OSI Pharmaceuticals, Inc. (US) 2011-05-25 EP claimed
US-7943767-B2 Fused bicyclic mTOR inhibitors OSI PHARMACEUTICALS, INC. (US) 2011-05-17 US claimed
EP-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP claimed
WO-2011014726-A1 MTOR INHIBITOR AND ANGIOGENESIS INHIBITOR COMBINATION THERAPY OSI PHARMACEUTICALS, INC. (US) 2011-02-03 WO claimed
US-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2010-07-01 US claimed
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARMACEUTICALS, INC. 2010-04-22 US claimed
US-20090163468-A1 Fused Bicyclic mTor Inhibitors OSI PHARMACEUTICALS, INC. 2009-06-25 US claimed
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer OSI PHARMACEUTICALS, INC. 2007-05-17 US claimed
WO-2020036386-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER 한국화학연구원 2020-02-20 WO disclosed
US-5488064-A ANTIDIABETIC AGENTS, GASTROINTESTINAL AGENTS, ADRENERGIC BLOCKING AGENTS OR STIMULANTS AND TREATMENT OF OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1996-01-30 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 (7 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-20090163468-A1 Fused Bicyclic mTor Inhibitors MTOR, RICTOR, MAPKAP1 HTR6 4695/4885MEN1 1845/4885HTT 3049/4885
US-20120207767-A1 Combined Treatment with an EGFR Kinase Inhibitor and an Agent that Sensitizes Tumor Cells to the Effects of EGFR Kinase Inhibitors EGFR, ERBB2, MTOR HTR6 4056/4885MEN1 3291/4885HTT 2980/4885
US-20100099679-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 HTR6 4695/4885MEN1 1845/4885HTT 3049/4885
US-20130165651-A1 FUSED BICYCLIC mTOR INHIBITORS MTOR, RICTOR, MAPKAP1 HTR6 4695/4885MEN1 1845/4885HTT 3049/4885
US-20100166776-A1 COMBINED TREATMENT WITH AN EGFR KINASE INHIBITOR AND AN AGENT THAT SENSITIZES TUMOR CELLS TO THE EFFECTS OF EGFR KINASE INHIBITORS EGFR, ERBB2, RICTOR HTR6 3393/4885MEN1 3248/4885HTT 2365/4885
US-20070112005-A1 mammalian Target Of Rapamycin (mTOR) kinase; for treatment of lymphoma or ovarian cancer MTOR, MAPKAP1, RPS6KA1 HTR6 4150/4885MEN1 1152/4885HTT 2710/4885
US-20110218183-A1 Fused Bicyclic mTOR Inhibitors MTOR, RICTOR, MAPKAP1 HTR6 4695/4885MEN1 1845/4885HTT 3049/4885

“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.