SCHEMBL4619358

SCHEMBL4619358

Cc1ccc(S(=O)(=O)OCC2CCc3cc(F)cc(Br)c3O2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP2C19 P33261 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
CA2 P00918 1/20 0.37
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
CYP1A2 P05177 1/20 0.31
STS P08842 1/20 0.31
HTR6 P50406 1/20 0.30

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
SCHEMBL4624328 1.00 CYP2D6 (0.43) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL4621433 1.00 CYP2D6 (0.43) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL4219036 0.90 CYP2D6 (0.39) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL8046725 0.84 CYP2D6 (0.39) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL7203951 0.84 CYP2D6 (0.39) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL8052235 0.83 CA2 (0.39) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL8052650 0.82 ALDH1A1 (0.38) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL4620413 0.81 AQP1 (0.51) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL4620414 0.81 AQP1 (0.51) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR
SCHEMBL4620574 0.81 AQP1 (0.40) CYP2D6ALDH1A1CYP2C19CYP3A4TSHR

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 5 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
EP-1874756-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF Wyeth (US) 2008-01-09 EP disclosed
US-20060258714-A1 Chromane and chromene derivatives and uses thereof WYETH (US) 2006-11-16 US disclosed
WO-2006116165-A1 CHROMANE AND CHROMENE DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO 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 2512/4885CYP2C19 349/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 CYP2D6 655/4885ALDH1A1 2512/4885CYP2C19 349/4885

“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.