SCHEMBL24009071

SCHEMBL24009071

N#Cc1cnc2c(OCF)cccc2c1O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.40
▸ HPGDS O60760 1/20 0.36
▸ EGFR P00533 5/20 0.36
▸ ERBB2 P04626 5/20 0.36
▸ PLAU P00749 1/20 0.34
▸ SRC P12931 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL24009068 0.86 EGFR (0.41) SLC6A3HPGDSEGFRERBB2
SCHEMBL24009072 0.83 SLC6A3 (0.40) SLC6A3HPGDSEGFRERBB2PLAU
SCHEMBL11701895 0.75 DYRK1A (0.41) EGFRERBB2PLAUHTT
SCHEMBL24009065 0.69 ALDH1A1 (0.43) SLC6A3HPGDSEGFRERBB2SRC
SCHEMBL17603410 0.68 ALDH1A1 (0.49) —
SCHEMBL1344423 0.67 LRRK2 (0.54) EGFRERBB2MAP2K1HTT
SCHEMBL28479914 0.67 PARP1 (0.36) —
SCHEMBL30666122 0.67 MAP2K1 (0.36) SLC6A3HPGDSEGFRERBB2SRC
SCHEMBL24009148 0.67 HPGDS (0.55) SLC6A3HPGDSEGFRERBB2SRC
SCHEMBL26656463 0.67 MAP2K1 (0.36) SLC6A3HPGDSEGFRERBB2SRC

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-11780849-B2 Imino sulfanone inhibitors of ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2023-10-10 — — US disclosed
WO-2021225969-A1 IMINO SULFANONE INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-11-11 — — WO 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-11780849-B2 Imino sulfanone inhibitors of ENPP1 ENPP1, ENPP3, SMPD1 SLC6A3 3584/4885HPGDS 353/4885EGFR 4147/4885

“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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