SCHEMBL5530336

SCHEMBL5530336

CCCS(=O)(=O)NC1CCC(CNC(=S)NC(=O)c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
ALOX12 P18054 5/20 0.48
GLA P06280 2/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MITF O75030 1/20 0.43
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ACHE P22303 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
RECQL P46063 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
SCHEMBL5530332 0.84 ALDH1A1 (0.49) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL2584410 0.82 ALDH1A1 (0.65) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL5123025 0.79 NPC1 (0.60) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL5126108 0.79 NPC1 (0.54) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL5392388 0.77 ALDH1A1 (0.51) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL7474517 0.76 RAB9A (0.65) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL7475623 0.76 NPC1 (0.66) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL4290054 0.76 NPC1 (0.66) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL5126653 0.74 SMN1; SMN2 (0.53) ALDH1A1ALOX12GLANPC1RAB9A
SCHEMBL5331586 0.74 TDP1 (0.39)

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-20070213376-A1 Halogenated sulfonamide derivatives H. LUNDBECK A/S (DK) 2007-09-13 US disclosed
US-20060293341-A1 Alkyl sulfonamide derivatives H. LUNDBECK A/S (DK) 2006-12-28 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 (2 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-20070213376-A1 Halogenated sulfonamide derivatives NPY5R, NPY2R, SSTR5 ALDH1A1 1835/4885ALOX12 2665/4885GLA 3082/4885
US-20060293341-A1 Alkyl sulfonamide derivatives NPY5R, NPY1R, NPY4R ALDH1A1 1893/4885ALOX12 1838/4885GLA 2479/4885

“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.