SCHEMBL4621402

SCHEMBL4621402

Cc1ccc(S(=O)(=O)OC[C@H]2CCc3cc(F)cc(-c4ccccc4-c4ccccc4)c3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 3/20 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
PTGS2 P35354 3/20 0.34
CA12 O43570 1/20 0.33
LMNA P02545 1/20 0.33
CA9 Q16790 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
VDR P11473 1/20 0.32
HTR1A P08908 2/20 0.32
HTR7 P34969 2/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
AQP1 P29972 2/20 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
SCHEMBL8052235 0.95 CA2 (0.39) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4620574 0.89 AQP1 (0.40) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4234505 0.86 AQP1 (0.40) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL8052650 0.84 ALDH1A1 (0.38) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL8045681 0.83 CA2 (0.36) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4620413 0.83 AQP1 (0.51) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4620414 0.83 AQP1 (0.51) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4229947 0.82 AQP1 (0.40) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL8046144 0.82 MAPT (0.35) CA2ALDH1A1CYP2D6CYP3A4TSHR
SCHEMBL4233543 0.82 AQP1 (0.39) ALDH1A1CYP2D6CYP3A4TSHRCYP2C9

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 2512/4885CYP2D6 655/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 CA2 2235/4885ALDH1A1 2512/4885CYP2D6 655/4885

“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.