SCHEMBL22548331

SCHEMBL22548331

C=CCOc1cc(C(C)(C)Cc2cc(C(C)(C)C)cc(OCCC3CC3)c2F)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 10/20 0.36
▸ HTR2B P41595 6/20 0.36
▸ HTR2A P28223 6/20 0.33
▸ SCN9A Q15858 1/20 0.32
▸ ADRB2 P07550 2/20 0.32
▸ HTR1A P08908 2/20 0.32
▸ CHRM5 P08912 2/20 0.32
▸ ADRA2A P08913 2/20 0.32
▸ DRD2 P14416 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ DRD4 P21917 2/20 0.32
▸ HRH2 P25021 2/20 0.32
▸ SLC6A4 P31645 2/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ DRD3 P35462 2/20 0.32
▸ HTR6 P50406 2/20 0.32
▸ KCNH2 Q12809 2/20 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
SCHEMBL20351583 0.84 SCN9A (0.34) SCN9A
SCHEMBL20207598 0.77 SCN9A (0.44) SCN9A
SCHEMBL21350429 0.76 SCN9A (0.40) SCN9A
SCHEMBL20207597 0.75 HTR2C (0.44) HTR2CHTR2BHTR2AADRB2HTR1A
SCHEMBL21325261 0.71 KDM4E (0.50) HTR2CHTR2BHTR2A
SCHEMBL21533988 0.70 EPHX2 (0.39) —
SCHEMBL20351723 0.70 SCN9A (0.43) HTR2CHTR2BHTR2ASCN9A
SCHEMBL20393748 0.68 TRPV1 (0.35) HTR2A
SCHEMBL21754756 0.68 SCN9A (0.35) SCN9AADRA2AADRA2BADRA2C
SCHEMBL21533894 0.67 CHRNB4 (0.38) —

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-11198677-B2 Deoxyuridine triphosphatase inhibitors containing amino sulfonyl linkage UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2021-12-14 — — US disclosed
US-20200325105-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CONTAINING AMINO SULFONYL LINKAGE CV6 THERAPEUTICS (NI) LIMITED (GB) 2020-10-15 — — 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 (2 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-11198677-B2 Deoxyuridine triphosphatase inhibitors containing amino sulfonyl linkage DUT, DPYD, TYMP HTR2C 4001/4885HTR2B 3739/4885HTR2A 4062/4885
US-20200325105-A1 DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CONTAINING AMINO SULFONYL LINKAGE DUT, DPYD, TYMP HTR2C 4001/4885HTR2B 3739/4885HTR2A 4062/4885

“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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