SCHEMBL22355191

SCHEMBL22355191

CC(S)S(=O)(=O)Nc1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ EDNRA P25101 1/20 0.41
▸ RAB9A P51151 6/20 0.39
▸ NPC1 O15118 4/20 0.39
▸ SCN1A P35498 1/20 0.37
▸ SCN5A Q14524 1/20 0.37
▸ SCN8A Q9UQD0 1/20 0.37
▸ FFAR2 O15552 1/20 0.37
▸ KMT2A Q03164 4/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL20333510 0.86 ACHE (0.48) ACHEKDM4EALDH1A1SMN1; SMN2EDNRA
SCHEMBL22984859 0.76 TSHR (0.56) KDM4EALDH1A1SMN1; SMN2KMT2AHPGD
SCHEMBL3432475 0.76 EDNRA (0.46) ACHEKDM4EALDH1A1SMN1; SMN2EDNRA
SCHEMBL30562266 0.76 EDNRA (0.46) ACHEKDM4EALDH1A1SMN1; SMN2EDNRA
SCHEMBL23562355 0.73 EDNRA (0.43) ACHEKDM4EALDH1A1SMN1; SMN2EDNRA
SCHEMBL4740343 0.72 ACHE (0.44) ACHEKDM4EALDH1A1SMN1; SMN2EDNRA
SCHEMBL28468524 0.69 PTGS1 (0.45) —
SCHEMBL20351898 0.68 EDNRA (0.40) ACHEKDM4EALDH1A1SMN1; SMN2EDNRA
SCHEMBL6648852 0.67 ALDH1A1 (0.53) KDM4EALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL15880397 0.67 SMN1; SMN2 (0.56) KDM4EALDH1A1SMN1; SMN2EDNRARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 — — 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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH ACHE 4231/4885KDM4E 3292/4885ALDH1A1 2717/4885

“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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