SCHEMBL4288970

SCHEMBL4288970

CCSC(SCC)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
DRD3 P35462 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GPR84 Q9NQS5 3/20 0.36
FFAR1 O14842 1/20 0.36
FFAR3 O14843 1/20 0.35
OR51E2 Q9H255 1/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
Acetic Acid SCHEMBL11591788 0.95 FFAR3 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
Ammonia Solution, Strong SCHEMBL28110714 0.78
SCHEMBL4951799 0.77 CHRM1 (0.38) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3421509 0.77 ALDH1A1 (0.35) TDP1ALDH1A1
SCHEMBL8927706 0.76
SCHEMBL1196751 0.74
SCHEMBL20299941 0.74 ALDH1A1 (0.43) TDP1TP53ALDH1A1TSHR
SCHEMBL7773740 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL7773743 0.74 EPHX1 (0.39) TDP1SMN1; SMN2ALDH1A1TSHRCA2
SCHEMBL155485 0.74

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156620-A1 ABSORBENT SOLUTION CONTAINING A DEGRADATION MULTISULPHUR-CONTAINING INHIBITOR HAVING A CARBOXYL GROUP AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBENT SOLUTION IFP (FR) 2009-12-30 WO claimed
US-11053249-B2 Proteasome inhibiting β-lactam prodrugs useful for the treatment of cancer and neurodegenerative disorders PHILIPPE YVES-REMY SIMON (FR) 2021-07-06 US disclosed
US-20200216455-A1 Proteasome Inhibiting Beta-Lactam Produrgs Useful for the Treatment of Cancer and Nurodegenerative Disorders VITA API (FR) 2020-07-09 US disclosed
WO-2018115497-A1 PROTEASOME INHIBITING ß-LACTAM PRODRUGS USEFUL FOR THE TREATMENT OF CANCER AND NEURODEGENERATIVE DISORDERS VITA API (FR) 2018-06-28 WO disclosed
WO-2009156620-A1 ABSORBENT SOLUTION CONTAINING A DEGRADATION MULTISULPHUR-CONTAINING INHIBITOR HAVING A CARBOXYL GROUP AND METHOD FOR LIMITING THE DEGRADATION OF AN ABSORBENT SOLUTION IFP (FR) 2009-12-30 WO disclosed
WO-1991002741-A1 SUGAR ALCOHOL DERIVATIVES, A PROCESS FOR PREPARING 3-DEOXY-2-OCTULOSONIC ACID AND 3-DEOXY-2-HEPTULOSONIC ACID COMPOUNDS AND DERIVATIVES RIJKSUNIVERSITEIT TE LEIDEN (NL) 1991-03-07 WO disclosed
EP-0310484-A1 Derivatives of alkadienes, their preparations, medicinal compositions containing them, and intermediates RHONE-POULENC SANTE (FR) 1989-04-05 EP 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-11053249-B2 Proteasome inhibiting β-lactam prodrugs useful for the treatment of cancer and neurodegenerative disorders PSMB5, PSMB1, PSMB11 TDP1 726/4885CHRM1 4159/4885AKR1A1 1881/4885
US-20200216455-A1 Proteasome Inhibiting Beta-Lactam Produrgs Useful for the Treatment of Cancer and Nurodegenerative Disorders PSMB5, PSMB1, PSMB11 TDP1 849/4885CHRM1 3616/4885AKR1A1 2040/4885

“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.