SCHEMBL4862009

SCHEMBL4862009

Cc1c(S(=O)(=O)c2ccccc2)csc1S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
HTR6 P50406 5/20 0.41
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
MEN1 O00255 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL4250028 0.75 NPSR1 (0.60) ALDH1A1KDM4ENPSR1SMN1; SMN2TSHR
Hydrochloric Acid SCHEMBL27583303 0.73 NPSR1 (0.58) ALDH1A1KDM4ENPSR1SMN1; SMN2TSHR
SCHEMBL4115807 0.70 CA2 (0.47) ALDH1A1KDM4EHTR6POLBMEN1
SCHEMBL1516456 0.69 TSHR (0.58) ALDH1A1NPSR1SMN1; SMN2TSHRFEN1
SCHEMBL28881125 0.67 TSHR (0.56) ALDH1A1NPSR1SMN1; SMN2TSHRFEN1
SCHEMBL28132945 0.67 TSHR (0.56) ALDH1A1NPSR1SMN1; SMN2TSHRFEN1
SCHEMBL29121431 0.67 TSHR (0.56) ALDH1A1NPSR1SMN1; SMN2TSHRFEN1
SCHEMBL13162694 0.67 HTR6 (0.48) ALDH1A1KDM4ENPSR1SMN1; SMN2TSHR
SCHEMBL12360250 0.67 HTR6 (0.59) ALDH1A1KDM4ENPSR1SMN1; SMN2TSHR
SCHEMBL28346730 0.66 TSHR (0.54) ALDH1A1NPSR1SMN1; SMN2TSHRFEN1

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-7375227-B2 Quinoline derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-05-20 US disclosed
US-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2005-02-24 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-20050043535-A1 4-(Piperidyl-and pyrrolidyl-alkyl-ureido)-quinolines as urotensin II receptor antagonists UTS2R, NTSR2, PLAUR ALDH1A1 2993/4885KDM4E 2500/4885NPSR1 7/4885

“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.