SCHEMBL115752

SCHEMBL115752

CC(C)(C)OC(=O)NCC(C(=O)O)c1ccsc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.46
CTSK P43235 5/20 0.46
SYK P43405 1/20 0.42
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
AAK1 Q2M2I8 1/20 0.38
SERPINE1 P05121 1/20 0.37
ATM Q13315 1/20 0.36
PTPN11 Q06124 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
CTSL P07711 2/20 0.36
CTSB P07858 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
IDO1 P14902 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
ALOX5 P09917 1/20 0.35

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
SCHEMBL19256882 0.88 CTSS (0.43) CTSSCTSKSYKMEN1GAA
SCHEMBL21376008 0.86 CTSS (0.44) CTSSCTSKSYKMEN1GAA
SCHEMBL1993119 0.83 CTSS (0.46) CTSSCTSKSYKMEN1GAA
SCHEMBL266022 0.83 CTSK (0.51) CTSSCTSKSYKMEN1GAA
SCHEMBL266021 0.83 CTSK (0.51) CTSSCTSKSYKMEN1GAA
SCHEMBL118384 0.83 CTSK (0.51) CTSSCTSKSYKMEN1GAA
SCHEMBL10376395 0.82 CTSS (0.45) CTSSCTSKSYKMEN1GAA
SCHEMBL10321617 0.82 CTSS (0.45) CTSSCTSKSYKMEN1GAA
SCHEMBL7269720 0.81 SYK (0.46) CTSSCTSKSYKMEN1GAA
SCHEMBL2798709 0.81 PPARG (0.44) CTSSCTSKSYKMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11618748-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2023-04-04 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127329-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010126626-A2 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE AERIE PHARMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010127330-A1 DUAL-ACTION INHIBITORS AND METHODS OF USING SAME AERIE PHAMACEUTICALS, INC. (US) 2010-11-04 WO disclosed
WO-2010011853-A2 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-01-28 WO disclosed
WO-2010011853-A2 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2010-01-28 WO disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 US disclosed
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2010-01-28 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 (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-11618748-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 CTSS 1460/4885CTSK 1094/4885SYK 4355/4885
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSS 2435/4885CTSK 1527/4885SYK 2107/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 CTSS 1460/4885CTSK 1094/4885SYK 4355/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 CTSS 1460/4885CTSK 1094/4885SYK 4355/4885
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSS 2435/4885CTSK 1527/4885SYK 2107/4885
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 CTSS 2435/4885CTSK 1527/4885SYK 2107/4885

“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.