SCHEMBL4131617

SCHEMBL4131617

CC(C)(C)S(=O)(=O)NC1CCC(C(=O)Nc2nc3ccc(F)cc3s2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 2/20 0.54
PDPK1 O15530 1/20 0.54
DYRK1A Q13627 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL278678 1.00 CLK1 (0.54) CLK1PDPK1DYRK1ACASP3SENP8
SCHEMBL10114641 0.85 CYP1A2 (0.56) CLK1DYRK1ACASP3SENP8SENP7
SCHEMBL13204244 0.85 CYP1A2 (0.56) CLK1DYRK1ACASP3SENP8SENP7
SCHEMBL13985632 0.83 PDPK1 (0.45) CLK1PDPK1DYRK1ACASP3SENP8
SCHEMBL14424167 0.78 TP53 (0.60) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL10114501 0.78 TP53 (0.60) NPC1RAB9AKMT2ASMN1; SMN2LMNA
SCHEMBL10113384 0.78 CSNK2A2 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL13203876 0.78 CSNK2A2 (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12864673 0.77 NPY5R (0.58) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL10113061 0.77 NPY5R (0.58) MEN1KMT2ASMN1; SMN2LMNAMAPT

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-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
EP-2000152-A9 SOLID PREPARATION HAVING IMPROVED SOLUBILITY Shionogi Co., Ltd. (JP) 2009-03-25 EP disclosed
EP-2000152-A2 SOLID PREPARATION HAVING IMPROVED SOLUBILITY Shionogi Co., Ltd. (JP) 2008-12-10 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-20090105312-A1 SOLID PREPARATION HAVING IMPROVED SOLUBILITY NUDT1, PDE7A, SLC7A1 CLK1 3844/4885PDPK1 4172/4885DYRK1A 2053/4885

“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.