SCHEMBL4285798

SCHEMBL4285798

Cc1ccc(S(=O)(=O)OCCOCCOC(=O)c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 1/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 1/20 0.46
PSMD10 O75832 1/20 0.44
STAT3 P40763 1/20 0.44
FOLH1 Q04609 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31651021 1.00 NPC1 (0.49) NPC1RAB9AMAPTLMNARECQL
SCHEMBL31651007 1.00 NPC1 (0.49) NPC1RAB9AMAPTLMNARECQL
SCHEMBL16044478 0.86 TDP1 (0.58) NPC1RAB9ALMNATDP1POLB
SCHEMBL26977459 0.83 TSHR (0.53) LMNATDP1KMT2APSMD10STAT3
SCHEMBL2709225 0.82 CHRM1 (0.50) LMNAKMT2ASTAT3L3MBTL1ALDH1A1
SCHEMBL20088146 0.82 ALDH1A1 (0.43) LMNARECQLGAAKMT2APSMD10
SCHEMBL2708882 0.82 ALDH1A1 (0.43) LMNARECQLGAAKMT2APSMD10
SCHEMBL27134336 0.82 TSHR (0.48) MAPTLMNATDP1KMT2APSMD10
SCHEMBL478342 0.81 ALDH1A1 (0.53) LMNATDP1GAAKMT2ASTAT3
SCHEMBL18644929 0.81 ALDH1A1 (0.53) LMNATDP1GAAKMT2ASTAT3

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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 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 (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-20090137580-A1 Fused Heterocyclic Derivatives and Use Thereof TIE1, KDR, FLT1 NPC1 4628/4885RAB9A 3416/4885MAPT 3596/4885

“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.