SCHEMBL3533818

SCHEMBL3533818

CC(CCc1ccc(N)c(CS(=O)(=O)c2ccccc2)c1)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 4/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL3533498 0.78 PTPN1 (0.47) ALDH1A1KMT2AHPGDHTT
SCHEMBL3568963 0.78 HDAC1 (0.41) ALDH1A1KMT2AHPGDCYP2C9CYP2C19
SCHEMBL27716502 0.76 CYP1A2 (0.49) SMN1; SMN2CYP1A2CYP2C19MAPT
SCHEMBL3568957 0.76 CA12 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL3639332 0.76 KMT2A (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL3639331 0.76 KMT2A (0.45) SMN1; SMN2ALDH1A1MEN1KMT2AHPGD
SCHEMBL3533820 0.76 CA12 (0.43) SMN1; SMN2ALDH1A1HPGDHTTNPC1
SCHEMBL4689420 0.76 NPC1 (0.36) SMN1; SMN2ALDH1A1HPGDL3MBTL1MAPT
SCHEMBL3530911 0.75 CA2 (0.46) MAPT
SCHEMBL3533822 0.74 CA12 (0.43) L3MBTL1

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-7723329-B2 Substituted-3-sulfonylindazole derivatives as 5-hydroxytryptamine-6 ligands WYETH LLC (US) 2010-05-25 US disclosed
US-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders WYETH (US) 2007-02-15 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-20070037802-A1 such as N,N-Dimethyl-3-{[3-(1-naphthylsulfonyl)-1H-indazol-5-yl]oxy}propan-1-amine, used for the treatment of a central nervous system disorders HTR6, TPH1, HTR1A SMN1; SMN2 258/4885ALDH1A1 690/4885MEN1 1034/4885

“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.