SCHEMBL29408613

SCHEMBL29408613

O=C(O)CN1C(=O)C(=Cc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ PSMD14 O00487 1/20 0.68
▸ PKM P14618 1/20 0.68
▸ PTPN12 Q05209 1/20 0.67
▸ PTPN22 Q9Y2R2 1/20 0.67
▸ AKR1B1 P15121 7/20 0.66
▸ PTPN1 P18031 5/20 0.66
▸ MMP3 P08254 2/20 0.66
▸ MMP13 P45452 2/20 0.66
▸ CA9 Q16790 1/20 0.60
▸ POLB P06746 1/20 0.59

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
SCHEMBL19736164 1.00 MEN1 (0.68) MEN1KMT2APSMD14PKMPTPN12
SCHEMBL29408612 0.91 PKM (0.78) MEN1KMT2APSMD14PKMPTPN12
SCHEMBL19736229 0.91 PKM (0.78) MEN1KMT2APSMD14PKMPTPN12
SCHEMBL29408637 0.90 MEN1 (0.68) MEN1KMT2APSMD14PKMPTPN12
SCHEMBL19736167 0.90 MEN1 (0.68) MEN1KMT2APSMD14PKMPTPN12
SCHEMBL25992865 0.90 MEN1 (0.68) MEN1KMT2APSMD14PKMPTPN12
SCHEMBL10492165 0.88 PTPN12 (0.77) MEN1KMT2APTPN12PTPN22AKR1B1
SCHEMBL10492163 0.88 PTPN12 (0.77) MEN1KMT2APTPN12PTPN22AKR1B1
SCHEMBL19736165 0.86 PKM (0.69) MEN1KMT2APSMD14PKMPTPN12
SCHEMBL29408630 0.86 PKM (0.69) MEN1KMT2APSMD14PKMPTPN12

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 1948/4885PSMD14 3177/4885

“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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