SCHEMBL129525

SCHEMBL129525

CC(S)c1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ADRA2A P08913 4/20 0.46
ADRA2B P18089 4/20 0.46
ADRA2C P18825 4/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1B P35368 1/20 0.46
CYP2A6 P11509 2/20 0.44
SLC6A4 P31645 1/20 0.43
AOC3 Q16853 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL666055 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL664990 1.00 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL28946753 0.82 CYP2C9 (0.40) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL66681 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL2998678 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL5204752 0.81 ALDH1A1 (0.60) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL29114645 0.81 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1199043 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL9614515 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A
SCHEMBL1199042 0.79 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11708332-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-07-25 US disclosed
US-11685721-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2023-06-27 US disclosed
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2023-02-23 US disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-11192861-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2021-12-07 US disclosed
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-02-18 US disclosed
CN-111517902-A Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2020-08-11 CN disclosed
US-10633345-B2 Human plasma kallikrein inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2020-04-28 US disclosed
US-20160164075-A1 PROCESS FOR PRODUCING AN ACTIVE CATHODE MATERIAL COMPRISING A MIXTURE OF A METAL OXIDE AND A METAL SULFIDE AND USE OF THE ACTIVE CATHODE MATERIAL IN RECHARGEABLE ELECTROCHEMICAL CELLS BASF SE (DE) 2016-06-09 US disclosed
EP-3022786-A1 PROCESS FOR PRODUCING ACTIVE CATHODE MATERIAL COMPRISING MIXTURE OF METAL OXIDE AND METAL SULFIDE AND USE OF ACTIVE CATHODE MATERIAL IN RECHARGEABLE ELECTROCHEMICAL CELLS BASF SE (DE) 2016-05-25 EP disclosed
US-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1262966-A2 Optical recording medium and novel azaporphyrin compound Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-1247655-A1 OPTICAL RECORDING MEDIUM AND NOVEL AZAPORPHYRIN COMPOUNDS Mitsui Chemicals, Inc. (JP) 2002-10-09 EP disclosed
EP-1245571-A1 BENZBISAZOLE COMPOUND AND OPTICAL RECORDING MEDIUM CONTAINING THE COMPOUND Mitsui Chemicals, Inc. (JP) 2002-10-02 EP disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-4320070-A ION EXCHANGE RESIN CATALYST PPG INDUSTRIES, INC. (US) 1982-03-16 US disclosed
US-4273725-A Process for preparing chlorothiolformates PPG INDUSTRIES, INC. (US) 1981-06-16 US disclosed
US-4268456-A FROM A MERCAPTAN AND PHOSGENE, QUATERNARY AMMONIUM SALT CATALYST PPG INDUSTRIES, INC. (US) 1981-05-19 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 (8 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-20030091931-A1 Benzbisazole compound and optical recording medium containing the compound DAO, CACNA1I, KCNB2 ALDH1A1 838/4885CYP1A2 308/4885CYP2C9 167/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ALDH1A1 28/4885CYP1A2 297/4885CYP2C9 690/4885
US-11708332-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1220/4885CYP1A2 1437/4885CYP2C9 1062/4885
US-11192861-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1220/4885CYP1A2 1437/4885CYP2C9 1062/4885
US-20210047275-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1220/4885CYP1A2 1437/4885CYP2C9 1062/4885
US-20230056538-A1 HUMAN PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 ALDH1A1 1136/4885CYP1A2 1409/4885CYP2C9 1033/4885
US-10633345-B2 Human plasma kallikrein inhibitors KLKB1, KLK1, KLK5 ALDH1A1 1065/4885CYP1A2 1525/4885CYP2C9 1018/4885
US-11685721-B2 Human plasma kallikrein inhibitors KLKB1, KLK5, KLK1 ALDH1A1 1136/4885CYP1A2 1409/4885CYP2C9 1033/4885

“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.