SCHEMBL29408604

SCHEMBL29408604

COc1ccc(C=C2SC(=S)N(CC(=O)O)C2=O)cc1OCc1ccccc1F

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.73
PTPN1 P18031 1/20 0.73
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
POLB P06746 2/20 0.70
ADAMTS5 Q9UNA0 1/20 0.70

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
SCHEMBL19736234 1.00 AKR1B1 (0.73) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL6720213 1.00 AKR1B1 (0.73) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL19736233 0.97 AKR1B1 (0.79) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL29408644 0.97 AKR1B1 (0.79) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL6720209 0.88 AKR1B1 (0.93) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL5221174 0.88 AKR1B1 (0.93) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL5221183 0.88 AKR1B1 (0.93) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL6720208 0.86 AKR1B1 (0.79) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL10492241 0.85 AKR1B1 (0.85) AKR1B1PTPN1MEN1KMT2APOLB
SCHEMBL10492234 0.85 AKR1B1 (0.85) AKR1B1PTPN1MEN1KMT2APOLB

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 AKR1B1 92/4885PTPN1 1854/4885MEN1 3181/4885

“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.