SCHEMBL1608227

SCHEMBL1608227

c1csc([C]2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NISCH Q9Y2I1 1/20 0.38
GALR1 P47211 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2E1 P05181 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 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
SCHEMBL498605 0.98 LTA4H (0.43) LTA4HHPGDKDM4EMEN1MAPT
SCHEMBL497607 0.87
SCHEMBL5746764 0.80 NPC1 (0.39) LTA4HHPGDKDM4EMEN1MAPT
SCHEMBL667254 0.73 KDM4E (0.43) LTA4HHPGDKDM4EMEN1MAPT
SCHEMBL16291133 0.73 L3MBTL1 (0.57) LTA4HHPGDKDM4EMEN1MAPT
SCHEMBL3545 0.73 L3MBTL1 (0.57) LTA4HHPGDKDM4EMEN1MAPT
Fluoride SCHEMBL491501 0.70 L3MBTL1 (0.55) LTA4HHPGDKDM4EMEN1MAPT
Hydrogen Sulfide SCHEMBL22588115 0.70 L3MBTL1 (0.55) LTA4HHPGDKDM4EMEN1MAPT
Ammonia Solution, Strong SCHEMBL34467257 0.70 L3MBTL1 (0.55) LTA4HHPGDKDM4EMEN1MAPT
Benzene SCHEMBL28420098 0.70 L3MBTL1 (0.55) LTA4HHPGDKDM4EMEN1MAPT

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
US-6107495-A REACTING SPECIFIED 1-(2- OR 3-THIENYL) CYCLOHEXANES WITH A 1,5-DIHALOPENTANE TO FORM CYCLIC (THIENYLCYCLOHEXYL)AMINES SUCH AS 2-ALKYL-(3-THIENYL)CYCLOHEXYL PIPERIDINE; USE AS INTERMEDIATES TO RADIOACTIVE LABELLED MOLECULES SOCIETE D'EXPANSION SCIENTIFIQUE EXPANSIA (FR) 2000-08-22 US claimed
CN-110072862-B Bicyclic nitrogen-containing heterocyclic derivative and pharmaceutical composition containing the same 盐野义制药株式会社 2022-05-13 CN disclosed
CN-108834415-B Substituted tricyclic 1, 4-benzodiazepine derivatives as allosteric modulators of group II metabotropic glutamate receptors 多曼治疗学公司 2021-12-24 CN disclosed
CN-110769830-A Substituted heterocyclic compounds as allosteric modulators of group II metabotropic glutamate receptors 马瓦隆治疗有限公司 2020-02-07 CN disclosed
CN-103827215-B Iron content (II) complex and condensation catalyst, prepare the method for this catalyst and the compositions containing this catalyst 道康宁公司 2016-12-21 CN disclosed
CN-101688245-B Methods for diagnosing ischemia UNIV CALIFORNIA 2013-09-25 CN disclosed
US-8518975-B2 Gamma secretase modulators Merck Sharp + Dohme Corp. (US) 2013-08-27 US disclosed
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
CN-101188942-B Adult pancreatic derived stromal cells LIFESCAN, INC. (US) 2011-11-30 CN disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 US disclosed
CN-1009197-B Process for preparing N, 3-disubstituted 2-oxindole-1-carboxamides PFIZER (US) 1990-08-15 CN disclosed
US-4859736-A Synthetic polystyrene resin and its use in solid phase peptide synthesis CIBA-GEIGY CORPORATION (US) 1989-08-22 US disclosed
CN-1003855-B Process for preparing 1, 3-disubstituted 2-oxindoles 美国辉瑞有限公司 1989-04-12 CN disclosed
EP-0285562-A2 Synthetic resin CIBA-GEIGY AG (CH) 1988-10-05 EP disclosed
US-4721712-A 1,3-disubstituted 2-oxindoles as analgesic and anti-inflammatory agents PFIZER INC. (US) 1988-01-26 US disclosed
US-4658037-A RHEUMATIC DISEASES PFIZER INC. (US) 1987-04-14 US disclosed
CN-85101795-A With 1, the two 2-oxyindoles that replace of 3-prepare pain killer and antiphlogistic 1987-04-08 CN disclosed
CN-85103527-A Preparation N, the method for the disubstituted 2-hydroxyindole of 3--1-hydroxyalkyl cooh amide 1987-01-28 CN disclosed
US-4569942-A N,3-Disubstituted 2-oxindole-1-carboxamides as analgesic and antiinflammatory agents PFIZER INC. (US) 1986-02-11 US disclosed
US-4369179-A TREATMENT OF DIABETES AND GASTROINTESTINAL BLEEDING WITH SOMATOSTATIN DERIVATIVES CIBA-GEIGY CORPORATION (US) 1983-01-18 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 (1 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-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 LTA4H 910/4885HPGD 1744/4885KDM4E 3006/4885

“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.