SCHEMBL4621540

SCHEMBL4621540

Cc1ccc(S(=O)(=O)OC[C@H]2CCc3cccc(-c4cc(Cl)ccc4Cl)c3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.38
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 2/20 0.36
MAPT P10636 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A4 P31645 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
PTGS2 P35354 1/20 0.33
DPP4 P27487 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ALOX12 P18054 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
SCHEMBL4221920 0.91 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4621993 0.90 CA2 (0.43) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4621704 0.90 CA2 (0.43) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4621380 0.86 CA2 (0.41) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4225293 0.84 ALDH1A1 (0.35) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4960818 0.84 CA2 (0.39) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4231348 0.83 AQP1 (0.42) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4222020 0.83 AQP1 (0.39) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4225686 0.82 AQP1 (0.39) ALDH1A1CYP3A4CYP2D6TSHRMAPT
SCHEMBL4621395 0.82 ALDH1A1 (0.41) CA2ALDH1A1CYP3A4CYP2D6TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2008-07-31 US disclosed
US-7365095-B2 Chromane and chromene derivatives and uses thereof WYETH (US) 2008-04-29 US disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 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-20080182891-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF HTR1A, HTR2C, CHRM1 CA2 2235/4885ALDH1A1 2512/4885CYP3A4 340/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 CA2 2235/4885ALDH1A1 2512/4885CYP3A4 340/4885

“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.