SCHEMBL5683288

SCHEMBL5683288

O=C1CSCC(C(=O)O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CAD P27708 2/20 0.42
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32

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
SCHEMBL9201482 1.00 HTT (0.46) HTTCADCYP2D6LMNABLM
SCHEMBL8974020 1.00 HTT (0.46) HTTCADCYP2D6LMNABLM
Trifluoroacetic Acid SCHEMBL31548889 0.89 HTT (0.39) HTTCAD
SCHEMBL14286751 0.82 HTT (0.33) HTTCADKMT2A
SCHEMBL10553644 0.80 HTT (0.43) HTTCADMAPTMAPK1ITGB3
SCHEMBL10101200 0.77 KMT2A (0.53) KMT2A
SCHEMBL23370679 0.76 ITGB3 (0.33) LMNAKMT2AITGB3ITGB2ITGB1
SCHEMBL17169893 0.71 HTT (0.46) HTTCADCYP2D6LMNABLM
SCHEMBL16467758 0.70 CAD (0.48) HTTCADCYP2D6LMNABLM
Procysteine SCHEMBL9139321 0.70 HTT (0.53) HTTCADCYP2D6LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0298474-B1 NOVEL CALCITONIN DERIVATIVE AND SALT THEREOF MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1992-11-19 EP claimed
US-5010174-A Bone disorders, controlling calcium concentration in blood MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-04-23 US claimed
EP-0370165-A2 Novel calcitonin derivative and salt thereof MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-05-30 EP claimed
EP-0298474-A2 Novel calcitonin derivative and salt thereof MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-01-11 EP claimed
WO-2025094035-A1 TOLL-LIKE RECEPTOR AGONISTS AND CONJUGATES THEREOF PFIZER INC. (US) 2025-05-08 WO disclosed
US-20240000794-A1 LACTAM AND LACTONE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION SUCH AS COVID-19 Université Catholique de Louvain (BE) 2024-01-04 US disclosed
WO-2022106646-A1 LACTAM AND LACTONE DERIVATIVES OF FORMULA (IA) FOR USE IN THE TREATMENT OF DISEASES CAUSED BY A CORONAVIRUS INFECTION AND/OR A VIRAL RESPIRATORY INFECTION Université Catholique de Louvain (BE) 2022-05-27 WO disclosed
WO-2022106646-A1 LACTAM AND LACTONE DERIVATIVES OF FORMULA (IA) FOR USE IN THE TREATMENT OF DISEASES CAUSED BY A CORONAVIRUS INFECTION AND/OR A VIRAL RESPIRATORY INFECTION Université Catholique de Louvain (BE) 2022-05-27 WO disclosed
EP-4000620-A1 LACTAM AND LACTONE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION SUCH AS COVID-19 Université catholique de Louvain (BE) 2022-05-25 EP disclosed
WO-2021093733-A1 QUALITY CONTROL METHOD FOR CARBOCISTEINE RAW MATERIAL AND FORMULATION THEREOF, AND USE THEREOF 广东华南药业集团有限公司 2021-05-20 WO disclosed
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES TRIAD MULTITECH PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-5010174-A Bone disorders, controlling calcium concentration in blood MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-04-23 US disclosed
EP-0304649-B1 Salts of 6-piperidino-2,4-diaminopyrimidin-3-oxide and of derivatives of thiamorpholin-3-on-5-carboxylic acid, their cosmetical and medicinal use. L'OREAL (FR) 1991-03-20 EP disclosed
EP-0370165-A2 Novel calcitonin derivative and salt thereof MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1990-05-30 EP disclosed
EP-0322779-A2 Benzolactam compounds and pharmaceutical uses thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-07-05 EP disclosed
EP-0304649-A1 Salts of 6-piperidino-2,4-diaminopyrimidin-3-oxide and of derivatives of thiamorpholin-3-on-5-carboxylic acid, their cosmetical and medicinal use. L'OREAL (FR) 1989-03-01 EP disclosed
EP-0298474-A2 Novel calcitonin derivative and salt thereof MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1989-01-11 EP disclosed
US-4100152-A Peptides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1978-07-11 US disclosed
US-4045556-A ANTIDEPRESSANTS, PYSCHOSTIMULANTS; SILYLATION SCHWERTNER EBERHARD 1977-08-30 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 (2 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-20120041194-A1 NITROGEN AND SULFUR-CONTAINING HETROCYCLE DERIVATIVES HRH4, HNMT, TST HTT 22/4885CAD 3221/4885CYP2D6 1578/4885
US-20240000794-A1 LACTAM AND LACTONE DERIVATIVES FOR USE IN THE TREATMENT OF A VIRAL INFECTION SUCH AS COVID-19 FURIN, SARS1, IL4I1 HTT 3710/4885CAD 2652/4885CYP2D6 1490/4885

“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.