SCHEMBL17064890

SCHEMBL17064890

CC(C)(C)[S+]([O-])/N=C(/CCC1CC1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.37
BCHE P06276 2/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CNR2 P34972 1/20 0.34
ATM Q13315 1/20 0.34
GPR3 P46089 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
LDLR P01130 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL17064457 1.00 ACHE (0.37) ACHEBCHEHDAC3HDAC4HDAC1
SCHEMBL18623191 1.00 ACHE (0.37) ACHEBCHEHDAC3HDAC4HDAC1
SCHEMBL29245887 0.89 BCHE (0.36) ACHEBCHEHDAC3HDAC4HDAC1
SCHEMBL18623202 0.86 MAPT (0.39) ALDH1A1KMT2A
SCHEMBL17064520 0.86 MAPT (0.39) ALDH1A1KMT2A
SCHEMBL18604794 0.86 MAPT (0.39) ALDH1A1KMT2A
SCHEMBL18604872 0.84 ALDH1A1 (0.46) KDM4ELDLRALDH1A1LMNA
SCHEMBL18623188 0.84 ALDH1A1 (0.46) KDM4ELDLRALDH1A1LMNA
SCHEMBL23119549 0.84 CYP2C9 (0.45) ATMALDH1A1LMNAKMT2A
SCHEMBL17064314 0.83 SIGMAR1 (0.38) ALDH1A1

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 36 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
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11708333-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-10689346-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 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-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-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 (16 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 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885
US-12116346-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ACHE 812/4885BCHE 589/4885HDAC3 2319/4885
US-20250270171-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ACHE 812/4885BCHE 589/4885HDAC3 2319/4885
US-20240150296-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ACHE 812/4885BCHE 589/4885HDAC3 2319/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ACHE 617/4885BCHE 482/4885HDAC3 2570/4885
US-10329260-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885
US-10125102-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885
US-20170073314-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885
US-20190322626-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885
US-20240150295-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ACHE 812/4885BCHE 589/4885HDAC3 2319/4885
US-20250257040-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ACHE 812/4885BCHE 589/4885HDAC3 2319/4885
US-11708333-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ACHE 991/4885BCHE 541/4885HDAC3 2370/4885
US-20180258049-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK1, KLK5 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885
US-12162838-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ACHE 812/4885BCHE 589/4885HDAC3 2319/4885
US-10689346-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ACHE 535/4885BCHE 435/4885HDAC3 2521/4885

“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.