SCHEMBL6003302

SCHEMBL6003302

COc1ccc(S(=O)(=O)N2CCCC(C(=O)ONC3CCCCC3)C2)cc1

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.76
ALDH1A1 P00352 5/20 0.67
NPC1 O15118 1/20 0.60
EPHX2 P34913 1/20 0.60
LMNA P02545 3/20 0.58
HTT P42858 4/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HSD17B10 Q99714 1/20 0.57
POLB P06746 1/20 0.57
USP2 O75604 1/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.54
TP53 P04637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL5245302 0.86 TSHR (1.00) TSHRALDH1A1NPC1EPHX2LMNA
SCHEMBL4006092 0.83 TSHR (0.90) TSHRALDH1A1NPC1EPHX2LMNA
SCHEMBL4006097 0.83 TSHR (0.90) TSHRALDH1A1NPC1EPHX2LMNA
SCHEMBL5243063 0.81 ALDH1A1 (0.74) TSHRALDH1A1NPC1LMNAHTT
SCHEMBL7534615 0.81 ALDH1A1 (1.00) TSHRALDH1A1NPC1LMNAHTT
SCHEMBL29873927 0.80 ALDH1A1 (0.73) TSHRALDH1A1NPC1LMNAHTT
SCHEMBL5243147 0.79 TSHR (0.72) TSHRALDH1A1NPC1LMNAHTT
Cyclohexylamine SCHEMBL6003299 0.79 TSHR (0.69) TSHRALDH1A1NPC1LMNAHTT
SCHEMBL6323332 0.75 GAA (0.67) TSHRALDH1A1NPC1LMNAHTT
SCHEMBL608974 0.74 TSHR (0.77) TSHRALDH1A1NPC1EPHX2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060199816-A1 Aryl sulfonyl piperidines GILLESPIE PAUL 2006-09-07 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-20060199816-A1 Aryl sulfonyl piperidines GPR119, SLC5A2, GLS2 TSHR 761/4885ALDH1A1 88/4885NPC1 234/4885

“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.