SCHEMBL21536692

SCHEMBL21536692

O=C1CN(Cc2ccc3c(ccn3S(=O)(=O)c3cccc(OC4CCCC4)c3)c2)C(=O)N1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 16/20 0.46
▸ DUT P33316 2/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ ABCB1 P08183 1/20 0.37

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
SCHEMBL21536693 0.82 DUT (0.41) HTR6DUTHDAC1
SCHEMBL21536626 0.79 CYP11B1 (0.44) HTR6DUT
SCHEMBL20189396 0.78 DUT (0.49) DUT
SCHEMBL21536743 0.76 DUT (0.47) DUT
SCHEMBL21536091 0.75 DUT (0.47) DUT
SCHEMBL21536622 0.75 DUT (0.47) DUT
SCHEMBL21536086 0.75 DUT (0.47) DUT
SCHEMBL21536694 0.74 DUT (0.46) DUT
SCHEMBL20189654 0.74 DUT (0.70) DUT
SCHEMBL21536745 0.73 DUT (0.46) DUT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230263773-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2023-08-24 — — US disclosed
US-20230263773-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2023-08-24 — — US disclosed
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 — — US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 — — 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 (3 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-20230263773-A1 COMBINATION THERAPY WITH DEOXYURIDINE TRIPHOSPHATASE INHIBITORS TYMP, DUT, TYMS HTR6 3404/4885DUT 2/4885CYP3A4 3473/4885
US-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT HTR6 1813/4885DUT 3/4885CYP3A4 3048/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT HTR6 1813/4885DUT 3/4885CYP3A4 3048/4885

“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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