SCHEMBL1606290

SCHEMBL1606290

NC(=S)NCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.66
CA1 P00915 1/20 0.66
CA2 P00918 1/20 0.66
CA9 Q16790 1/20 0.66
HPGD P15428 1/20 0.58
DUSP3 P51452 1/20 0.58
GAA P10253 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PKM P14618 1/20 0.47

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
SCHEMBL1640547 0.89 HPGD (0.74) CA12CA1CA2CA9HPGD
SCHEMBL2830503 0.86 HPGD (0.65) CA12CA1CA2CA9HPGD
SCHEMBL27469554 0.82 CA12 (0.68) CA12CA1CA2CA9HPGD
SCHEMBL17799216 0.82 CA12 (0.68) CA12CA1CA2CA9HPGD
Methane SCHEMBL11244066 0.82 CA12 (0.58) CA12CA1CA2CA9HPGD
SCHEMBL4529538 0.82 CA12 (0.60) CA12CA1CA2CA9KMT2A
SCHEMBL11410911 0.81 CA12 (0.53) CA12CA1CA2CA9HPGD
SCHEMBL6210691 0.81 HPGD (0.64) CA12CA1CA2CA9HPGD
SCHEMBL863140 0.81 CA12 (0.66) CA12CA1CA2CA9HPGD
SCHEMBL1461242 0.81 GAA (0.60) CA12CA1CA2CA9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117510413-A DCLK1 kinase inhibitor and preparation method and application thereof 杭州医学院 2024-02-06 CN claimed
CN-107189197-B Comprehensive conveying pipe for high-strength insulating flame-retardant pipeline gallery 上海中塑管业有限公司 2020-05-12 CN claimed
CN-106220994-B A kind of high intensity PP-RCT anti-flaming tubular products and preparation method 刘志光 2018-06-01 CN claimed
CN-106220994-A A kind of high intensity PP RCT anti-flaming tubular product and preparation method 刘志光 2016-12-14 CN claimed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP claimed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 WO claimed
CN-117510413-A DCLK1 kinase inhibitor and preparation method and application thereof 杭州医学院 2024-02-06 CN disclosed
US-11814366-B2 Antiviral compounds and use thereof UNIVERSITA DEGLI STUDI DI SIENA (IT) 2023-11-14 US disclosed
EP-3765454-B1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIV DEGLI STUDI DI SIENA (IT) 2023-11-08 EP disclosed
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITA DEGLE STUDI DI SIENA (IT) 2021-03-11 US disclosed
EP-3765454-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF Universita' Degli Studi di Siena (IT) 2021-01-20 EP disclosed
CN-107189197-B Comprehensive conveying pipe for high-strength insulating flame-retardant pipeline gallery 上海中塑管业有限公司 2020-05-12 CN disclosed
WO-2019175436-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2019-09-19 WO disclosed
US-6699866-B2 FOR THERAPY OF ADDICTION, ANXIETY, DEPRESSION, SEXUAL DYSFUNCTION, HYPERTENSION, MIGRAINE, ALZHEIMER'S DISEASE, OBESITY, EMESIS, PSYCHOSIS, ANALGESIA, SCHIZOPHRENIA, PARKINSON'S DISEASE, RESTLESS LEG SYNDROME, SLEEPING DISORDERS SEPRACOR INC. 2004-03-02 US disclosed
CN-1437584-A Tricyclic protein kinase inhibitors WYETH CORP (US) 2003-08-20 CN disclosed
WO-2003066630-A2 QUINOLINONE DERIVATIVES FOR TREATING CELL PROLIFERATION RELATED DISORDERS AMGEN INC. (US) 2003-08-14 WO disclosed
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof SEPRACOR INC. 2003-06-05 US disclosed
WO-2002083863-A2 THIAZOLE AND OTHER HETEROCYCLIC LIGANDS AND USE THEREOF SEPRACOR, INC. (US) 2002-10-24 WO disclosed
EP-0988301-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 2000-03-29 EP disclosed
WO-1998056788-A1 IMIDAZOLYL-CYCLIC ACETALS RHONE-POULENC RORER LIMITED (GB) 1998-12-17 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 (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-11814366-B2 Antiviral compounds and use thereof MAVS, EIF2AK2, SARS1 CA12 2300/4885CA1 4192/4885CA2 3906/4885
US-20030105071-A1 Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof HTR5A, OPRL1, HTR2C CA12 4876/4885CA1 4770/4885CA2 4763/4885
US-20210070737-A1 ANTIVIRAL COMPOUNDS AND USE THEREOF MAVS, EIF2AK2, SARS1 CA12 2300/4885CA1 4192/4885CA2 3906/4885

“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.