SCHEMBL4394576

SCHEMBL4394576

CC1(C)CC(Nc2ccc(S(=O)(=O)Oc3ccc4nc(NC(=O)C5CC5)sc4c3)cc2)CC(C)(C)N1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.48
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 3/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
HSP90AA1 P07900 1/20 0.46
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 2/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL13593743 0.92 CLK1 (0.47) CLK1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL4394769 0.86 CLK1 (0.56) CLK1KMT2ASMN1; SMN2MEN1NPC1
SCHEMBL4398917 0.84 CLK1 (0.57) CLK1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL4402171 0.80 ENPP3 (0.56) CLK1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL4396704 0.78 CLK1 (0.51) CLK1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL4396724 0.77 NPC1 (0.50) CLK1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL4413074 0.77 CLK1 (0.52) CLK1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL4404654 0.77 ENPP3 (0.62) CLK1KMT2ASMN1; SMN2MEN1POLB
SCHEMBL4394510 0.77 ENPP3 (0.60) CLK1KMT2ASMN1; SMN2MEN1POLB
Hydrochloric Acid SCHEMBL4396688 0.76 CLK1 (0.51) CLK1KMT2ASMN1; SMN2MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US claimed
US-7632952-B2 4-(2-hydroxy-2-methylpropylamino)benzenesulfonic acid 2-[(piperidine-4-carbonyl)-amino]benzothiazol-6-yl ester; anticancer activity, via modulation of the activity of proteins, in particular of kinases; anticarcinogenic agent AVENTIS PHARMA S.A. (FR) 2009-12-15 US disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 US disclosed
EP-1745044-A2 BENZOTHIAZOLE DERIVATIVES HAVING CDK MODULATING ACTIVITY AND USE THEREOF AS ANTICANCER AGENTS Aventis Pharma S.A. (FR) 2007-01-24 EP disclosed
WO-2005097787-A2 NOVEL BENZOTHIAZOLES AND THE USE THEREOF AS MEDICAMENTS AVENTIS PHARMA S.A. (FR) 2005-10-20 WO 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-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments TFEB, ABAT, BRD4 CLK1 2705/4885KMT2A 2540/4885SMN1; SMN2 4780/4885

“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.