SCHEMBL22634044

SCHEMBL22634044

O=C(O)C[C@H](NC(=O)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.45
MME P08473 1/20 0.43
ALDH1A1 P00352 4/20 0.40
RAB9A P51151 2/20 0.38
PTPN1 P18031 2/20 0.38
PKLR P30613 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
CASP1 P29466 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL22634046 1.00 GAA (0.45) GAAMAPTMMEALDH1A1RAB9A
SCHEMBL22634274 0.92 ALDH1A1 (0.48) GAAMAPTMMEALDH1A1RAB9A
SCHEMBL22634276 0.92 ALDH1A1 (0.48) GAAMAPTMMEALDH1A1RAB9A
SCHEMBL22634065 0.89 PTPN1 (0.50) GAAMMEALDH1A1PTPN1L3MBTL1
SCHEMBL22634064 0.89 PTPN1 (0.50) GAAMMEALDH1A1PTPN1L3MBTL1
SCHEMBL22634043 0.86 MME (0.47) GAAMME
SCHEMBL22634220 0.86 MME (0.47) GAAMME
SCHEMBL22647626 0.85 PPARA (0.41) RAB9AMEN1KMT2ANPC1L3MBTL1
SCHEMBL22634057 0.83 LTA4H (0.46) ALDH1A1
SCHEMBL22633997 0.81 ALDH1A1 (0.46) GAAMMEALDH1A1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
WO-2020227592-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 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-20200354318-A1 THIOSEMICARBAZATES AND USES THEREOF TST, ABAT, AADAC GAA 1001/4885MAPT 1493/4885MME 280/4885

“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.