SCHEMBL4816387

SCHEMBL4816387

Cc1ccc(S(=O)(=O)Nc2nccc3cc4c(OC5CCCCO5)ccnc4n23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 3/20 0.34
RCE1 Q9Y256 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
SLC12A2 P55011 1/20 0.33
SLC12A5 Q9H2X9 1/20 0.33
SCN1A P35498 1/20 0.33
SCN8A Q9UQD0 1/20 0.33
GAA P10253 3/20 0.33
BRD4 O60885 1/20 0.33
NPC1 O15118 1/20 0.32
GFER P55789 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL4032848 0.84 RAB9A (0.37) ALDH1A1HTTLMNATSHRTP53
SCHEMBL4035674 0.81 KMT2A (0.34) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL4033384 0.80 SLC40A1 (0.45) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL4034210 0.78 ALDH1A1 (0.40) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL4031970 0.74 SLC40A1 (0.46) ALDH1A1HTTLMNAKDM4ESMN1; SMN2
SCHEMBL14269082 0.73 LMNA (0.34) ALDH1A1HTTLMNATSHRRCE1
SCHEMBL4027701 0.70 ALDH1A1 (0.55) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL14269064 0.69 RCE1 (0.35) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL14269084 0.68 SLC40A1 (0.35) ALDH1A1HTTLMNATSHRKDM4E
SCHEMBL14269080 0.66 LMNA (0.38) ALDH1A1HTTLMNATSHRKDM4E

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-7329666-B2 Derivatives of variolin B PHARMA MAR, S.A. (ES) 2008-02-12 US disclosed
US-20040058939-A1 Derivatives of variolin b PHARMA MAR, S.A. (ES) 2004-03-25 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-20040058939-A1 Derivatives of variolin b HNRNPA2B1, HNRNPAB, SYNCRIP ALDH1A1 1470/4885HTT 3800/4885LMNA 2548/4885

“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.