SCHEMBL4402218

SCHEMBL4402218

CC(C)(C)OC(=O)CCCCC(N)C(=O)Nc1nc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
SCD O00767 1/20 0.42
POLB P06746 3/20 0.42
TP53 P04637 2/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 5/20 0.42
ATAD2 Q6PL18 1/20 0.41
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL4399558 0.89 TP53 (0.40) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL4402221 0.88 HDAC3 (0.47) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4397744 0.82 KMT2A (0.53) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4401044 0.79 ATAD2 (0.64) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4411698 0.79 HDAC3 (0.45) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4403568 0.79 HDAC8 (0.50) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4402216 0.79 HDAC8 (0.50) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4399513 0.79 HDAC8 (0.50) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4403573 0.78 HDAC3 (0.46) NPC1RAB9AKMT2AMEN1SCD
SCHEMBL4406019 0.78 HDAC3 (0.46) NPC1RAB9AKMT2AMEN1SCD

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 2 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 disclosed
US-20070093488-A1 Novel Benzothiazoles And The Use Thereof As Medicaments AVENTIS PHARMA S.A. (FR) 2007-04-26 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 (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 NPC1 600/4885RAB9A 4759/4885KMT2A 2540/4885

“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.