SCHEMBL29408642

SCHEMBL29408642

O=C(O)CN1C(=O)C(=Cc2ccc(OC(=O)c3ccccc3I)cc2)SC1=S

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 1.00
▸ AKR1B1 P15121 9/20 0.70
▸ PTPN1 P18031 6/20 0.70
▸ MMP3 P08254 3/20 0.70
▸ MMP13 P45452 3/20 0.70
▸ MEN1 O00255 3/20 0.69
▸ KMT2A Q03164 3/20 0.69
▸ PSMD14 O00487 1/20 0.69
▸ PTPN12 Q05209 1/20 0.60
▸ PTPN22 Q9Y2R2 1/20 0.60

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
SCHEMBL19736089 1.00 PKM (1.00) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL21450817 0.89 PKM (0.80) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL19736090 0.89 PKM (0.80) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL29408612 0.88 PKM (0.78) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL19736229 0.88 PKM (0.78) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL15863399 0.83 AKR1B1 (1.00) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL15863400 0.83 AKR1B1 (1.00) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL15869598 0.83 AKR1B1 (1.00) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL29408630 0.82 PKM (0.69) PKMAKR1B1PTPN1MMP3MMP13
SCHEMBL19736165 0.82 PKM (0.69) PKMAKR1B1PTPN1MMP3MMP13

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 PKM 2019/4885AKR1B1 92/4885PTPN1 1854/4885

“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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