SCHEMBL4963732

SCHEMBL4963732

CS(=O)(=O)c1nccc(C=O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ CCR1 P32246 2/20 0.39
▸ PARP1 P09874 1/20 0.36
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS2 P35354 1/20 0.33
▸ MPI P34949 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCR5 P51681 1/20 0.31
▸ CCR8 P51685 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ DYRK2 Q92630 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ NPC1 O15118 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL30637352 0.75 NPSR1 (0.42) ALDH1A1PARP1LMNASMN1; SMN2KMT2A
SCHEMBL4138614 0.75 NPSR1 (0.42) ALDH1A1PARP1LMNASMN1; SMN2KMT2A
SCHEMBL1750195 0.75 PARP1 (0.38) ALDH1A1PARP1LMNASMN1; SMN2KMT2A
SCHEMBL5700283 0.74 ROCK1 (0.37) SMN1; SMN2PTGS2
SCHEMBL13074743 0.73 PARP1 (0.37) ALDH1A1PARP1LMNASMN1; SMN2DYRK1A
SCHEMBL22471636 0.73 PARP1 (0.37) ALDH1A1PARP1LMNASMN1; SMN2DYRK1A
SCHEMBL1490042 0.73 MTOR (0.37) PARP1LMNASMN1; SMN2KMT2ADYRK1A
SCHEMBL20606050 0.73 LMNA (0.39) ALDH1A1PARP1LMNASMN1; SMN2PTGS2
SCHEMBL3929459 0.73 PARP1 (0.37) ALDH1A1PARP1LMNASMN1; SMN2KMT2A
SCHEMBL758549 0.73 TP53 (0.37) ALDH1A1PARP1LMNASMN1; SMN2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 — — US disclosed
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 — — US disclosed
CN-101223143-A 3-cyanoquinoline inhibitors of TPL2 kinase and methods of making and using the same WYETH CORP (US) 2008-07-16 — — CN disclosed
EP-1888529-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME Wyeth (US) 2008-02-20 — — EP disclosed
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 — — US disclosed
WO-2006124692-A2 3-CYANOQUINOLINE INHIBITORS OF TPL2 KINASE AND METHODS OF MAKING AND USING THE SAME WYETH (US) 2006-11-23 — — WO disclosed
CN-1642600-A 1,2-dihydropyrazol-3-ones which controls inflammatory cytokines PROCTER & GAMBLE (US) 2005-07-20 — — 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 ALDH1A1 3975/4885CCR1 1132/4885PARP1 580/4885

“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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