SCHEMBL990205

SCHEMBL990205

Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H](OCc3ccccc3)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CYP2D6 P10635 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 1/20 0.43
AR P10275 1/20 0.42
ELANE P08246 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CYP1A2 P05177 2/20 0.41
CA12 O43570 1/20 0.41
ATM Q13315 1/20 0.41
CA9 Q16790 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 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
SCHEMBL20203214 1.00 BCHE (0.44) BCHEACHECYP2D6CYP3A4CYP2C19
SCHEMBL988821 1.00 BCHE (0.44) BCHEACHECYP2D6CYP3A4CYP2C19
SCHEMBL15173679 0.89 CYP2D6 (0.50) BCHEACHECYP2D6CYP3A4CYP2C19
SCHEMBL22283666 0.84 BCHE (0.43) BCHEACHECYP3A4LMNAAR
SCHEMBL26919443 0.84 BCHE (0.43) BCHEACHECYP3A4CYP2C19LMNA
SCHEMBL22283637 0.84 BCHE (0.43) BCHEACHECYP3A4LMNAAR
SCHEMBL22283640 0.84 BCHE (0.43) BCHEACHECYP3A4LMNAAR
SCHEMBL22230098 0.83 AR (0.41) BCHEACHECYP2D6CYP3A4CYP2C19
SCHEMBL22230095 0.83 AR (0.41) BCHEACHECYP2D6CYP3A4CYP2C19
SCHEMBL600214 0.83 CYP3A4 (0.42) BCHEACHECYP2D6CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138986-A1 PYRROLOTRIAZINE DERIVATIVES FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORP (US) 2026-05-21 US disclosed
US-20250275959-A1 COMPOUNDS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2025-09-04 US disclosed
EP-3980412-B1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2025-08-13 EP disclosed
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof MERCK SHARP & DOHME LLC (US) 2025-06-03 US disclosed
WO-2025106362-A1 RIPK1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2025-05-22 WO disclosed
WO-2025054369-A1 COMPOUNDS, COMPOSITIONS, AND METHODS NICO THERAPEUTICS, INC. (US) 2025-03-13 WO disclosed
EP-4424312-A2 PYRROLOTRIAZINE DERIVATIVES FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES Blueprint Medicines Corporation (US) 2024-09-04 EP disclosed
CN-113939515-B Compositions and methods for treating KIT and PDGFRA mediated diseases 缆图药品公司 2024-06-18 CN disclosed
EP-3953357-B1 PYRROLOTRIAZINE DERIVATIVES FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORP (US) 2024-04-17 EP disclosed
US-20240010652-A1 COMPOSITIONS AND METHODS FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES BLUEPRINT MEDICINES CORPORATION 2024-01-11 US disclosed
US-20170283400-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20170283400-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2017-10-05 US disclosed
US-20160318865-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2016-11-03 US disclosed
WO-2016044556-A2 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 WO disclosed
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
EP-2454230-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
WO-2011006621-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 WO disclosed
WO-2011006621-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 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 (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-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups TMEM14C, PAICS, QPCT BCHE 258/4885ACHE 1668/4885CYP2D6 1432/4885
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, BRSK2 BCHE 4170/4885ACHE 2821/4885CYP2D6 2873/4885
US-20170283400-A1 ARGININE METHYLTRANSFERASE INHIBITORS AND USES THEREOF PRMT1, PRMT3, PRMT5 BCHE 285/4885ACHE 1880/4885CYP2D6 3229/4885
US-20240010652-A1 COMPOSITIONS AND METHODS FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES KIT, PDGFRA, PDGFRB BCHE 2312/4885ACHE 3727/4885CYP2D6 3292/4885
US-20260138986-A1 PYRROLOTRIAZINE DERIVATIVES FOR TREATING KIT- AND PDGFRA-MEDIATED DISEASES KIT, PDGFRA, PDGFRB BCHE 4053/4885ACHE 4778/4885CYP2D6 2756/4885
US-20250275959-A1 COMPOUNDS AND METHODS OF THEIR USE ACSL5, ACSL3, ACSL6 BCHE 317/4885ACHE 296/4885CYP2D6 468/4885
US-20160318865-A1 TRICYCLIC LACTAM DERIVATIVES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS HSD17B1, HSD17B11, HSD11B1 BCHE 165/4885ACHE 2045/4885CYP2D6 127/4885

“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.