SCHEMBL4619255

SCHEMBL4619255

Cc1ccc(S(=O)(=O)OC[C@H]2C=Cc3cc(F)cc(Br)c3O2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
P2RY6 Q15077 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
STAT3 P40763 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL4619873 1.00 CYP2D6 (0.35) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL14046970 0.84 ALDH1A1 (0.37) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL4443279 0.84 ALDH1A1 (0.37) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL12134880 0.84 ALDH1A1 (0.37) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL4620711 0.82 AQP1 (0.39) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL4622612 0.82 MAPT (0.32) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL4621846 0.82 CA12 (0.33) CA12CA9
SCHEMBL4622621 0.82 MAPT (0.32) CYP2D6ALDH1A1CYP3A4TSHRCYP2C9
SCHEMBL4621419 0.81 AQP1 (0.32) MAPT
SCHEMBL4621421 0.81 AQP1 (0.32) MAPT

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 CYP2D6 655/4885ALDH1A1 2512/4885CYP3A4 340/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 CYP2D6 655/4885ALDH1A1 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.