SCHEMBL4620574

SCHEMBL4620574

Cc1ccc(S(=O)(=O)OCC2CCc3cc(F)cc(-c4ccccc4Cl)c3O2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.40
CA2 P00918 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
VDR P11473 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL4230948 0.91 AQP1 (0.47) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4620413 0.91 AQP1 (0.51) AQP1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4620414 0.91 AQP1 (0.51) AQP1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4621402 0.89 CA2 (0.38) AQP1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL8052235 0.87 CA2 (0.39) AQP1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4621993 0.87 CA2 (0.43) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4621704 0.87 CA2 (0.43) CA2ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4619507 0.86 AQP1 (0.48) AQP1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4619502 0.86 AQP1 (0.48) AQP1CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL3343717 0.84 AQP1 (0.33) AQP1ALDH1A1CYP3A4CYP2D6TSHR

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 AQP1 3318/4885CA2 2235/4885ALDH1A1 2512/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 AQP1 3318/4885CA2 2235/4885ALDH1A1 2512/4885

“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.