SCHEMBL21964103

SCHEMBL21964103

Fc1ccc(CSCCn2c(-c3ccccc3)n[nH]c2=S)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HAGH Q16775 1/20 0.66
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 5/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 3/20 0.46
GAA P10253 3/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
APOBEC3G Q9HC16 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
PKM P14618 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 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
SCHEMBL21964112 0.89 HAGH (0.72) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL21964046 0.84 HAGH (0.84) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL21951992 0.80 HAGH (1.00) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL24176460 0.77 HAGH (0.67) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL21963934 0.75 HAGH (0.65) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL21963935 0.75 HAGH (0.81) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL21964146 0.73 HAGH (0.69) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL24176461 0.73 HAGH (0.58) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL24176458 0.72 HAGH (0.78) HAGHMEN1KMT2AALDH1A1HPGD
SCHEMBL21964125 0.72 HAGH (0.67) HAGHMEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113874357-A Metallobeta-lactamase inhibitors 国家科学研究中心 2021-12-31 CN claimed
US-20220000841-A1 INHIBITORS OF METALLO-BETA-LACTAMASES UNIVERSITÉ DE MONTPELLIER (FR) 2022-01-06 US disclosed
CN-113874357-A Metallobeta-lactamase inhibitors 国家科学研究中心 2021-12-31 CN 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
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 1320/4885MEN1 968/4885KMT2A 1808/4885

“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.