SCHEMBL26574191

SCHEMBL26574191

O=C(O)CNS(=O)(=O)NCc1ccc2c(c1)COCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL28840764 0.76 AKR1B1 (0.46) KDM4ETDP1LMNAMAPTALDH1A1
SCHEMBL21382554 0.69 PRMT5 (0.40) CA2CA12CA7CA14PRMT5
SCHEMBL27204611 0.69 GRN (0.35) NPC1POLBRAB9APRMT5WDR77
SCHEMBL31114618 0.68 PDCD1 (0.35) NPC1POLBRAB9APRMT5WDR77
SCHEMBL31114587 0.68 PDCD1 (0.35) NPC1POLBRAB9APRMT5WDR77
SCHEMBL13146590 0.68 PRMT5 (0.37) KDM4EMAPTALDH1A1TSHRPRMT5
SCHEMBL1730943 0.67 CA2 (0.50) SMN1; SMN2LMNAMAPTCA2CA12
SCHEMBL27165522 0.67 GRN (0.37) NPC1POLBRAB9APRMT5WDR77
SCHEMBL30812789 0.67 GRN (0.37) NPC1POLBRAB9APRMT5WDR77
SCHEMBL27165641 0.67 GRN (0.37) NPC1POLBRAB9APRMT5WDR77

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-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US disclosed
US-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF Petragen, Inc. 2023-10-12 US 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-20230321049-A1 COMPOSITIONS OF ENPP1 INHIBITORS AND USES THEREOF ENPP1, ENPP2, ENPP3 KDM4E 4063/4885TDP1 1543/4885SMN1; SMN2 593/4885

“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.