SCHEMBL979795

SCHEMBL979795

Fc1ccc(CCS)cc1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.62
TAAR1 Q96RJ0 3/20 0.56
MAOB P27338 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
AOC3 Q16853 2/20 0.46
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
AGXT P21549 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
AOC2 O75106 1/20 0.41
MAOA P21397 1/20 0.41

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
SCHEMBL332100 0.85 GFER (0.42) IDO1TAAR1MAOBL3MBTL1MAOA
SCHEMBL11540537 0.84 IDO1 (0.56) IDO1TAAR1MAOBLOXL2AOC3
SCHEMBL7437052 0.82 TAAR1 (0.68) IDO1TAAR1MAOBLOXL2AOC3
SCHEMBL2320532 0.77 TAAR1 (0.62) IDO1TAAR1MAOBLOXL2AOC3
SCHEMBL441314 0.77
SCHEMBL10574057 0.77 TAAR1 (0.62) IDO1TAAR1MAOBLOXL2AOC3
SCHEMBL10571903 0.74 TAAR1 (0.59) IDO1TAAR1MAOBLOXL2AOC3
SCHEMBL11026456 0.74 IDO1 (0.36) IDO1TAAR1
SCHEMBL7741418 0.74 IDO1 (0.94) IDO1TAAR1MAOBLOXL2AGXT
SCHEMBL755085 0.74 TAAR1 (0.59) IDO1TAAR1MAOBLOXL2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112940149-B Chitin-based macromolecular chain transfer agent and preparation method and application thereof 安徽农业大学 2022-04-15 CN claimed
CN-112940149-A Chitin-based macromolecular chain transfer agent and preparation method and application thereof 安徽农业大学 2021-06-11 CN claimed
WO-2026107208-A1 COMPOSITIONS AND METHODS FOR TREATING MICROBIAL INFECTIONS THE METHODIST HOSPITAL (US) 2026-05-21 WO disclosed
CN-114634432-B High-efficiency synthesis method of alkyl aryl thioether compound 润药仁智(北京)科技有限公司 2023-03-14 CN disclosed
CN-114634432-A High-efficiency synthesis method of alkyl aryl thioether compound 北京大学 2022-06-17 CN disclosed
CN-112940149-B Chitin-based macromolecular chain transfer agent and preparation method and application thereof 安徽农业大学 2022-04-15 CN disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 WO disclosed
WO-2021248231-A1 COMPOUNDS COMPRISING A THREE RING CORE AS PD-1/PD-L1 BLOCKERS RELIVE THERAPEUTICS INC. (CA) 2021-12-16 WO disclosed
CN-112940149-A Chitin-based macromolecular chain transfer agent and preparation method and application thereof 安徽农业大学 2021-06-11 CN disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
WO-2019244066-A2 PYRIDIN-3-YL ACETIC ACID DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2019-12-26 WO disclosed
WO-2009009501-A2 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS BRISTOL-MYERS SQUIBB COMPANY 2009-01-08 US disclosed
WO-2008108735-A1 2 -SUBSTITUTED- 3 -PHENYLPROPIONIC ACID DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATORY BOWEL DISEASE ALBIREO AB (SE) 2008-09-12 WO disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders SCION PHARMACEUTICALS, INC. (US) 2007-08-30 US disclosed
WO-2005087750-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
US-6518264-B2 For treatment/prevention of psychoses, other brain disorders, and cardiovascular disorders AVENTIS PHARMA S.A. (FR) 2003-02-11 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 (3 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 IDO1 4094/4885TAAR1 2156/4885MAOB 2463/4885
US-20070203194-A1 Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders CACNA1C, CACNA1D, CACNA1G IDO1 2561/4885TAAR1 1541/4885MAOB 2123/4885
US-20090011994-A1 NON-BASIC MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS AND METHODS MCHR1, MCHR2, MC1R IDO1 419/4885TAAR1 29/4885MAOB 246/4885

“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.