SCHEMBL1105017

SCHEMBL1105017

CC(C)(C)OC(=O)NC(CCC(=O)O)c1ccsc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CTSS P25774 5/20 0.48
PTPRB P23467 2/20 0.41
ATM Q13315 1/20 0.38
ACE P12821 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAPT P10636 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
SCHEMBL1105001 0.88 CTSK (0.49) CTSKCTSSPTPRBATMMAPT
SCHEMBL1095180 0.88 CTSK (0.46) CTSKCTSSPTPRBATMCHRNB2
SCHEMBL4789660 0.85 CTSS (0.48) CTSKCTSSPTPRBATMCHRNB2
SCHEMBL4600416 0.85 CTSS (0.48) CTSKCTSSPTPRBATMCHRNB2
SCHEMBL1096245 0.85 CTSS (0.48) CTSKCTSSPTPRBATMCHRNB2
SCHEMBL1105015 0.85 CTSS (0.55) CTSKCTSSPTPRB
SCHEMBL4596762 0.84 CTSS (0.47) CTSKCTSSPTPRBATMCHRNB2
SCHEMBL14923678 0.84 CTSS (0.47) CTSKCTSSPTPRBATMCHRNB2
SCHEMBL4583120 0.83 CTSK (0.53) CTSKCTSSATMACEMAPT
SCHEMBL14923679 0.83 CTSS (0.46) CTSKCTSSPTPRBATMCHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2021-08-19 US disclosed
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ALCON INC. (CH) 2021-03-25 US disclosed
US-10882840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2020-07-16 US disclosed
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2020-07-16 US disclosed
US-20200140407-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2020-05-07 US disclosed
WO-2019178324-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS AERIE PHARMACEUTICALS, INC. (US) 2019-09-19 WO disclosed
US-20190127346-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2019-05-02 US disclosed
US-8759388-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
EP-2326623-B1 BETA-AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS AERIE PHARMACEUTICALS INC (US) 2014-04-16 EP disclosed
US-8450344-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-8450344-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds AERIE PHARMACEUTICALS, INC. (US) 2013-05-28 US disclosed
US-20120196916-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS ALCON INC. (CH) 2012-08-02 US disclosed
US-8153656-B2 2012-04-10 US disclosed
US-8153656-B2 2012-04-10 US 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 (9 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-10882840-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885
US-20200140407-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885
US-20100022585-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885
US-20200223818-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885
US-20190127346-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885
US-20210087184-A1 AMINO-BENZOISOTHIAZOLE AND AMINO-BENZOISOTHIADIAZOLE AMIDE COMPOUNDS ATM, MAP3K15, MAP3K3 CTSK 1589/4885CTSS 3840/4885PTPRB 4336/4885
US-20120196916-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885
US-20210253547-A1 BETA- AND GAMMA-AMINO-ISOQUINOLINE AMIDE COMPOUNDS AND SUBSTITUTED BENZAMIDE COMPOUNDS PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885
US-11021456-B2 Beta- and gamma-amino-isoquinoline amide compounds and substituted benzamide compounds PRKCQ, UACA, BCAT2 CTSK 1527/4885CTSS 2435/4885PTPRB 4633/4885

“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.