SCHEMBL4404037

SCHEMBL4404037

CC(C)C(CN)N(c1ccc(S(=O)(=O)Oc2ccc3nc(N)sc3c2)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 3/20 0.43
PKM P14618 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.41
CA2 P00918 4/20 0.41
CYP2C9 P11712 2/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38

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
SCHEMBL4397022 0.81 CLK1 (0.52) HSD17B10ALDH1A1LMNAHPGDKMT2A
SCHEMBL4394548 0.76 HSD17B10 (0.47) CYP3A4HSD17B10ALDH1A1TP53TSHR
SCHEMBL4394543 0.76 HSD17B10 (0.45) CYP3A4HSD17B10ALDH1A1TP53TSHR
SCHEMBL4396916 0.76 GFER (0.56) CYP3A4HSD17B10ALDH1A1TP53TSHR
SCHEMBL5160798 0.75 NPC1 (0.62) CYP3A4HSD17B10ALDH1A1TP53TSHR
SCHEMBL4406027 0.73 ALDH1A1 (0.44) ALDH1A1TP53LMNAKDM4EKMT2A
SCHEMBL4402260 0.71 SMN1; SMN2 (0.46) CYP3A4HSD17B10ALDH1A1TP53TSHR
SCHEMBL9722847 0.70 CYP3A4 (0.65) CYP3A4HSD17B10ALDH1A1TP53TSHR
SCHEMBL11699174 0.70 ALDH1A1 (0.52) CYP3A4HSD17B10ALDH1A1TP53TSHR
SCHEMBL9722861 0.70 CYP3A4 (0.65) CYP3A4HSD17B10ALDH1A1TP53TSHR

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 CYP3A4 318/4885HSD17B10 2470/4885ALDH1A1 930/4885

“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.