SCHEMBL19149798

SCHEMBL19149798

Cc1ccc(S(=O)(=O)N2CCC(Br)C(=O)c3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.56
▸ KCNA3 P22001 2/20 0.56
▸ MMP2 P08253 1/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL28565008 0.87 KCNN4 (0.59) KCNN4KCNA3MMP2HTR6LMNA
SCHEMBL8673020 0.85 KCNN4 (0.56) KCNN4KCNA3MMP2HTR6CYP3A4
SCHEMBL17158242 0.79 KCNN4 (0.50) KCNN4KCNA3MMP2CYP2C9LMNA
SCHEMBL7615647 0.78 MMP2 (0.54) KCNN4KCNA3MMP2CYP2C19NPSR1
SCHEMBL7615641 0.78 MMP2 (0.54) KCNN4KCNA3MMP2CYP2C19NPSR1
SCHEMBL7615650 0.78 MMP2 (0.54) KCNN4KCNA3MMP2CYP2C19NPSR1
SCHEMBL28565985 0.78 KCNN4 (0.60) KCNN4KCNA3MMP2HTR6LMNA
SCHEMBL2570325 0.78 ALDH1A1 (0.52) KCNN4KCNA3CYP2C19LMNAGAA
SCHEMBL768700 0.78 KCNN4 (0.67) KCNN4KCNA3MMP2HTR6CYP3A4
SCHEMBL28556866 0.77 KCNN4 (0.59) KCNN4KCNA3MMP2HTR6LMNA

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-20170226129-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-08-10 — — US disclosed
US-20170226129-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. 2017-08-10 — — US disclosed
WO-2017123884-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2017-07-20 — — WO disclosed
CN-105481863-A Synthetic method of 2-methyl-6-(4-methylphenyl)sulfonyl-1,4,5,6-tetrahydroimidazo[4,5-d][1]benzazepine PHARMASEA (BEIJING) BIOLOGICAL PHARMACEUTICAL CO LTD 2016-04-13 — — CN 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-20170226129-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS SIRT1, FURIN, SIRT5 KCNN4 4864/4885KCNA3 4260/4885MMP2 1722/4885

“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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