SCHEMBL4403151

SCHEMBL4403151

CN(C)S(=O)(=O)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
GRIA4 P48058 1/20 0.42
ALDH1A1 P00352 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MITF O75030 1/20 0.41
EPHX2 P34913 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
LMNA P02545 1/20 0.40
CA9 Q16790 1/20 0.39
HDAC8 Q9BY41 1/20 0.39

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
SCHEMBL30137227 0.81 KCNH2 (0.50) KCNH2CA1CA2GRIA4ALDH1A1
SCHEMBL4491486 0.78 HPGD (0.53) CA2ALDH1A1TP53LMNA
SCHEMBL2376809 0.78 ALDH1A1 (0.47) CA1CA2GRIA4ALDH1A1BCHE
SCHEMBL10286193 0.78 KMT2A (0.46) CA1CA2ALDH1A1CA9
SCHEMBL496730 0.76 BCHE (0.47) CA1CA2GRIA4ALDH1A1BCHE
SCHEMBL29164346 0.76 FAAH (0.54) CA1CA2GRIA4ALDH1A1BCHE
SCHEMBL16914823 0.76 ALDH1A1 (0.45) CA1CA2GRIA4ALDH1A1BCHE
SCHEMBL9250331 0.76 TAAR1 (0.45) ALDH1A1BCHEACHE
SCHEMBL4454189 0.76 KIF11 (0.59) CA1CA2GRIA4ALDH1A1BCHE
SCHEMBL4349128 0.76 NPY5R (0.43) CA1CA2ALDH1A1TP53TSHR

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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (2 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-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KCNH2 2615/4885CA1 4001/4885CA2 3424/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK KCNH2 2615/4885CA1 4001/4885CA2 3424/4885

“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.