SCHEMBL1042376

SCHEMBL1042376

Cc1ccc(S(=O)(=O)OC2CC(F)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA5B Q9Y2D0 1/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
NAAA Q02083 2/20 0.41
GAA P10253 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 1/20 0.40
VDR P11473 1/20 0.38
LMNA P02545 1/20 0.37
TLR9 Q9NR96 1/20 0.37

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
SCHEMBL1042377 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL11939929 1.00 CYP2D6 (0.52) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL14780313 0.89 CYP2D6 (0.58) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL11024375 0.89 CYP2D6 (0.58) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL11024377 0.89 CYP2D6 (0.58) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL26984638 0.88 CYP2D6 (0.54) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL4127356 0.86 CYP2D6 (0.50) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL25171077 0.85 CYP2D6 (0.58) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL4131575 0.85 CYP2D6 (0.58) CYP2D6CYP1A2CA12CA1CA2
SCHEMBL18348240 0.84 CYP2D6 (0.54) CYP2D6CYP1A2CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed
US-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2022-08-18 US disclosed
EP-3980412-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Merck Sharp & Dohme Corp. (US) 2022-04-13 EP disclosed
US-10966980-B2 Pyrrolo[2,3-d]pyrimidine derivatives PFIZER INC. (US) 2021-04-06 US disclosed
WO-2020247298-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-10 WO disclosed
WO-2020247298-A2 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME CORP. (US) 2020-12-10 WO disclosed
EP-3180344-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE PFIZER (US) 2019-09-18 EP disclosed
EP-3180344-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE Pfizer Inc (US) 2017-06-21 EP disclosed
US-20160045508-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES PFIZER INC. (US) 2016-02-18 US disclosed
WO-2016024185-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES USEFUL FOR INHIBITING JANUS KINASE PFIZER INC. (US) 2016-02-18 WO 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

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

For each of this compound's patents that has machine-readable text (5 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-20160045508-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES JAK3, JAK1, JAK2 CYP2D6 827/4885CYP1A2 1330/4885CA12 4868/4885
US-20220259188-A1 1-PYRAZOLYL, 5-, 6- DISUBSTITUTED INDAZOLE DERIVATIVES AS LRRK2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF LRRK2, PARK7, BRSK2 CYP2D6 2873/4885CYP1A2 2675/4885CA12 4884/4885
US-10966980-B2 Pyrrolo[2,3-d]pyrimidine derivatives JAK3, JAK1, JAK2 CYP2D6 827/4885CYP1A2 1330/4885CA12 4868/4885
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups TMEM14C, PAICS, QPCT CYP2D6 1432/4885CYP1A2 2148/4885CA12 874/4885
US-12319671-B2 1-pyrazolyl, 5-, 6-disubstituted indazole derivatives as LRRK2 inhibitors, pharmaceutical compositions, and uses thereof LRRK2, PARK7, BRSK2 CYP2D6 2873/4885CYP1A2 2675/4885CA12 4884/4885

“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.