SCHEMBL4399558

SCHEMBL4399558

CC(C)N(CCNc1ccc(S(=O)(=O)Oc2ccc3nc(NC(=O)C(N)CCCCC(=O)OC(C)(C)C)sc3c2)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
ALDH1A1 P00352 6/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
ATAD2 Q6PL18 1/20 0.38
MAPK1 P28482 3/20 0.38
KMT2A Q03164 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 1/20 0.37
CLK1 P49759 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 3/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4399562 0.89 HDAC3 (0.42) TP53ALDH1A1CA12CA1CA2
SCHEMBL4402218 0.89 NPC1 (0.43) TP53ALDH1A1ATAD2KMT2ARXFP1
SCHEMBL4396726 0.83 ATAD2 (0.56) TP53ALDH1A1CA12CA1CA2
SCHEMBL5160854 0.83 CA2 (0.36) CA2MAPK1KMT2ARXFP1NPC1
Hydrochloric Acid SCHEMBL4402207 0.82 ATAD2 (0.55) TP53ALDH1A1CA12CA1CA2
SCHEMBL4404852 0.82 HDAC8 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL4409524 0.82 HDAC8 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL4399550 0.82 HDAC8 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL4402030 0.81 DYRK1A (0.52) ALDH1A1CA12CA1CA2CA9
SCHEMBL4402149 0.81 HDAC3 (0.47) TP53ALDH1A1CA12CA1CA2

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 TP53 2851/4885ALDH1A1 930/4885CA12 3797/4885

“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.