SCHEMBL21964058

SCHEMBL21964058

O=C(O)CCSCCn1c(-c2ccccc2)n[nH]c1=S

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HAGH Q16775 1/20 0.67
TDP1 Q9NUW8 1/20 0.59
ALDH1A1 P00352 6/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 4/20 0.52
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.47
HSD17B10 Q99714 1/20 0.47
IDE P14735 3/20 0.46
MAPT P10636 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL21964146 0.89 HAGH (0.69) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21951987 0.84 TDP1 (0.72) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21952068 0.83 TDP1 (0.71) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21963935 0.83 HAGH (0.81) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21951977 0.82 TDP1 (0.69) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21952049 0.82 TDP1 (0.69) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21964145 0.81 HAGH (0.62) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21951992 0.81 HAGH (1.00) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21964102 0.80 HAGH (0.61) HAGHTDP1ALDH1A1HPGDKDM4E
SCHEMBL21964125 0.78 HAGH (0.67) HAGHTDP1ALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 US claimed
US-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 US disclosed
US-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 US disclosed
EP-3880665-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Centre national de la recherche scientifique (FR) 2021-09-22 EP disclosed
WO-2020099645-A1 INHIBITORS OF METALLO-BETA-LACTAMASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-05-22 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 (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-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, LCT, MGAM2 HAGH 1320/4885TDP1 2693/4885ALDH1A1 547/4885

“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.