SCHEMBL17064749

SCHEMBL17064749

CC(C)(C)[S+]([O-])/N=C/c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
GAA P10253 2/20 0.37
CTH P32929 1/20 0.36
GPR3 P46089 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
G6PC1 P35575 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
HPGD P15428 1/20 0.33
LRRK2 Q5S007 1/20 0.33
SRC P12931 1/20 0.33
BRAF P15056 1/20 0.33
KDR P35968 1/20 0.33
CA1 P00915 1/20 0.32

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
SCHEMBL17064753 1.00 NPC1 (0.37) NPC1RAB9AGAACTHGPR3
SCHEMBL18623270 1.00 NPC1 (0.37) NPC1RAB9AGAACTHGPR3
SCHEMBL17064750 1.00 NPC1 (0.37) NPC1RAB9AGAACTHGPR3
SCHEMBL2394646 0.81 GPR3 (0.44) NPC1RAB9AGAACTHGPR3
SCHEMBL2394650 0.81 GPR3 (0.44) NPC1RAB9AGAACTHGPR3
SCHEMBL3125623 0.81 GPR3 (0.44) NPC1RAB9AGAACTHGPR3
SCHEMBL29542724 0.81 GPR3 (0.44) NPC1RAB9AGAACTHGPR3
SCHEMBL3125611 0.81 GPR3 (0.44) NPC1RAB9AGAACTHGPR3
SCHEMBL2394643 0.81 GPR3 (0.44) NPC1RAB9AGAACTHGPR3
SCHEMBL29542814 0.81 GPR3 (0.44) NPC1RAB9AGAACTHGPR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4663636-A2 TRIFLUOROMETHYL SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BioCryst Pharmaceuticals, Inc. (US) 2025-12-17 EP disclosed
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-28 US disclosed
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2025-08-14 US disclosed
EP-4180424-B1 SUBSTITUTED PYRAZOLES AS HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2025-06-25 EP disclosed
US-12162838-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-12-10 US disclosed
US-12116346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2024-10-15 US disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-13 US disclosed
US-10125102-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2018-11-13 US disclosed
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-09-13 US disclosed
US-20180237441-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-08-23 US disclosed
EP-3350185-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2018-07-25 EP disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
WO-2017046737-A1 1-PHENYLPYRROLIDIN-2-ONE DERIVATIVES AS PERK INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-03-23 WO disclosed
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-03-16 US disclosed
EP-3113772-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2017-01-11 EP disclosed
WO-2015134998-A1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2015-09-11 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 (13 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-20180354906-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 NPC1 544/4885RAB9A 1612/4885GAA 357/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 465/4885RAB9A 2189/4885GAA 385/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885RAB9A 2189/4885GAA 385/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885RAB9A 2189/4885GAA 385/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 564/4885RAB9A 1954/4885GAA 450/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NPC1 544/4885RAB9A 1612/4885GAA 357/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 NPC1 544/4885RAB9A 1612/4885GAA 357/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885RAB9A 2189/4885GAA 385/4885
US-20180237441-A1 Chemical Compounds PSEN1, IRS1, CPT1A NPC1 20/4885RAB9A 3341/4885GAA 3733/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 NPC1 465/4885RAB9A 2189/4885GAA 385/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 NPC1 555/4885RAB9A 1670/4885GAA 360/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 NPC1 544/4885RAB9A 1612/4885GAA 357/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 NPC1 465/4885RAB9A 2189/4885GAA 385/4885

“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.