SCHEMBL17064313

SCHEMBL17064313

CC(C)(C)[S+]([O-])/N=C(/CCC1CC1)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
ALDH1A1 P00352 1/20 0.36
KDM1A O60341 6/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PDK2 Q15119 4/20 0.35
PDK1 Q15118 2/20 0.34
PDK3 Q15120 2/20 0.34
PDK4 Q16654 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
FASN P49327 1/20 0.33
CHRM4 P08173 1/20 0.33
KCNH2 Q12809 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL18623194 1.00 SIGMAR1 (0.38) SIGMAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL17064314 1.00 SIGMAR1 (0.38) SIGMAR1ALDH1A1KDM1AMAOAMAOB
SCHEMBL17064580 0.86 VNN1 (0.38) CHRM4
SCHEMBL20553834 0.86 VNN1 (0.38) CHRM4
SCHEMBL18623199 0.86 VNN1 (0.38) CHRM4
SCHEMBL17064577 0.86 VNN1 (0.38) CHRM4
SCHEMBL18623191 0.83 ACHE (0.37) ALDH1A1
SCHEMBL17064457 0.83 ACHE (0.37) ALDH1A1
SCHEMBL17064890 0.83 ACHE (0.37) ALDH1A1
SCHEMBL23119549 0.81 CYP2C9 (0.45) ALDH1A1MAOBGPR119

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 44 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-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-05-09 US disclosed
EP-4019022-B1 HUMAN PLASMA KALLIKREIN INHIBITORS BIOCRYST PHARM INC (US) 2024-01-31 EP disclosed
US-11807605-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-11-07 US disclosed
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2019-10-24 US disclosed
US-10329260-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2019-06-25 US disclosed
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-12-20 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
EP-3355890-A1 HUMAN PLASMA KALLIKREIN INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2018-08-08 EP 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 (14 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 SIGMAR1 4643/4885ALDH1A1 1065/4885KDM1A 1281/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SIGMAR1 4625/4885ALDH1A1 1136/4885KDM1A 726/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885ALDH1A1 1136/4885KDM1A 726/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885ALDH1A1 1136/4885KDM1A 726/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 SIGMAR1 4643/4885ALDH1A1 1065/4885KDM1A 1281/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 SIGMAR1 4643/4885ALDH1A1 1065/4885KDM1A 1281/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 SIGMAR1 4643/4885ALDH1A1 1065/4885KDM1A 1281/4885
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 SIGMAR1 4643/4885ALDH1A1 1065/4885KDM1A 1281/4885
US-20180362458-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4683/4885ALDH1A1 1419/4885KDM1A 778/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885ALDH1A1 1136/4885KDM1A 726/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 SIGMAR1 4625/4885ALDH1A1 1136/4885KDM1A 726/4885
US-11807605-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SIGMAR1 4683/4885ALDH1A1 1419/4885KDM1A 778/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 SIGMAR1 4643/4885ALDH1A1 1065/4885KDM1A 1281/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 SIGMAR1 4625/4885ALDH1A1 1136/4885KDM1A 726/4885

“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.