SCHEMBL4233443

SCHEMBL4233443

Cc1ccc(S(=O)(=O)OCC2Cc3cc(-c4ccccc4)cc(-c4ccc(Cl)cc4)c3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.38
BRD4 O60885 1/20 0.36
PTGS2 P35354 2/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 3/20 0.34
CYP2C9 P11712 3/20 0.34
CYP2C19 P33261 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 3/20 0.33
SLC6A9 P48067 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 0.33
CNR1 P21554 1/20 0.33
POLB P06746 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 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
SCHEMBL4220573 0.95 HPRT1 (0.42) HPRT1PTGS2KDM4EHPGDCYP2C9
SCHEMBL4234828 0.94 HPRT1 (0.40) HPRT1PTGS2KDM4EHPGDCYP2C9
SCHEMBL4225812 0.92 GRM5 (0.35) HPRT1CYP2C9CYP2C19ALDH1A1GAA
SCHEMBL4235496 0.91 HPRT1 (0.38) HPRT1PTGS2MAPTMEN1KMT2A
SCHEMBL4221883 0.90 PTGS1 (0.35) PTGS2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL4218893 0.90 NPC1 (0.39) HPRT1BRD4PTGS2KDM4EALDH1A1
SCHEMBL4230146 0.89 MAPT (0.36) BRD4PTGS2CYP2C9CYP2C19ALDH1A1
SCHEMBL4232197 0.89 HPRT1 (0.34) HPRT1PTGS2CYP2C9CYP2C19ALDH1A1
SCHEMBL4226452 0.89 MAOB (0.35) HPRT1PTGS2KDM4EHPGDCYP2C9
SCHEMBL4225507 0.87 HPRT1 (0.36) HPRT1PTGS2KDM4EHPGDCYP2C9

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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same WYETH (US) 2009-03-26 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-20090082434-A1 Dihydrobenzofuranyl Alkanamine Derivatives and Methods for Using Same HTR2C, HTR1A, HTR3A HPRT1 2577/4885BRD4 2918/4885PTGS2 2246/4885

“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.