SCHEMBL29601170

SCHEMBL29601170

CCN(CC)S(=O)(=O)n1cnc2nc(Cl)nc(Cl)c21

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ MAPT P10636 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ TSHR P16473 1/20 0.30

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
SCHEMBL29601285 0.78 ALDH1A1 (0.43) ALDH1A1P2RX7TSHR
SCHEMBL29601518 0.77 P2RX7 (0.53) ALDH1A1NPSR1MAPTP2RX7
SCHEMBL29601397 0.77 P2RX7 (0.35) P2RX7
SCHEMBL183206 0.70 ADORA2A (0.45) P2RX7
SCHEMBL29601293 0.69 ALDH1A1 (0.48) ALDH1A1MAPTTSHR
SCHEMBL29601682 0.69 ALDH3A1 (0.47) ALDH1A1P2RX7
SCHEMBL29601519 0.69 CA1 (0.37) ALDH1A1P2RX7
SCHEMBL29601705 0.69 HTT (0.47) ALDH1A1P2RX7TSHR
SCHEMBL29661424 0.68 CDK1 (0.41) ALDH1A1MAPTTSHR
SCHEMBL183091 0.68 CDK1 (0.41) ALDH1A1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2022-08-11 — — US claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 — — EP claimed
EP-3997089-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF University Of Virginia Patent Foundation (US) 2022-05-18 — — EP 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-20220251085-A1 CYSTEINE BINDING COMPOSITIONS AND METHODS OF USE THEREOF DDB1, HSPBP1, ATIC ALDH1A1 3044/4885NPSR1 3199/4885MAPT 4141/4885

“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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