SCHEMBL29408619

SCHEMBL29408619

COc1cc(C=C2SC(=S)N(CC(=O)O)C2=O)ccc1OC(=O)c1cccc(C)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.72
▸ KMT2A Q03164 6/20 0.72
▸ GFER P55789 2/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ NPC1 O15118 1/20 0.72
▸ AKR1B1 P15121 4/20 0.66
▸ PTPN1 P18031 1/20 0.66
▸ CASP6 P55212 1/20 0.64
▸ POLB P06746 2/20 0.61
▸ MAPT P10636 1/20 0.60
▸ RECQL P46063 1/20 0.60
▸ PDE4B Q07343 1/20 0.60
▸ CTNNB1 P35222 2/20 0.58
▸ TCF4 P15884 1/20 0.58
▸ DUSP3 P51452 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ PTPN5 P54829 1/20 0.58
▸ PTPN11 Q06124 1/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL19736093 1.00 MEN1 (0.72) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL19736244 0.87 MEN1 (0.66) MEN1KMT2AAKR1B1PTPN1
SCHEMBL29408614 0.87 MEN1 (0.66) MEN1KMT2AAKR1B1PTPN1
SCHEMBL6720211 0.86 MEN1 (0.71) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL10492241 0.85 AKR1B1 (0.85) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL10492234 0.85 AKR1B1 (0.85) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL6720212 0.83 CTNNB1 (0.72) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL25992154 0.81 AKR1B1 (0.86) MEN1KMT2AGFERAKR1B1PTPN1
SCHEMBL18102986 0.81 AKR1B1 (0.87) MEN1KMT2AGFERMAPK1NPC1
SCHEMBL18102842 0.81 AKR1B1 (0.87) MEN1KMT2AGFERMAPK1NPC1

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-20220378751-A1 INHIBITING DIHYDROFOLATE REDUCTASE IN A MICROORGANISM VERSITECH LIMITED (HK) 2022-12-01 — — US disclosed
CN-109414432-B Antimicrobial compounds and methods of use thereof 港大科桥有限公司 2022-03-08 — — CN 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-20220378751-A1 INHIBITING DIHYDROFOLATE REDUCTASE IN A MICROORGANISM DHFR, BLVRB, QDPR MEN1 3181/4885KMT2A 1948/4885GFER 182/4885

“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.

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