SCHEMBL4620583

SCHEMBL4620583

Cc1ccc(S(=O)(=O)OCC2CCc3cccc(O)c3O2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ESR1 P03372 1/20 0.41
GAA P10253 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2D6 P10635 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
STS P08842 1/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL30170977 1.00 CA2 (0.47) CA2MEN1KMT2AESR1GAA
SCHEMBL4218710 0.89 MEN1 (0.41) CA2MEN1KMT2AESR1GAA
SCHEMBL6629103 0.85 CA2 (0.44) CA2MEN1KMT2AGAAALDH1A1
SCHEMBL4622281 0.85 CA2 (0.44) CA2MEN1KMT2AGAAALDH1A1
SCHEMBL4620614 0.82 DRD2 (0.43) CA2MEN1KMT2AESR1GAA
SCHEMBL4619378 0.82 DRD2 (0.43) CA2MEN1KMT2AESR1GAA
SCHEMBL4621894 0.82 DRD2 (0.43) CA2MEN1KMT2AESR1GAA
SCHEMBL30170903 0.82 DRD2 (0.43) CA2MEN1KMT2AESR1GAA
SCHEMBL4621704 0.81 CA2 (0.43) CA2MEN1KMT2AGAAALDH1A1
SCHEMBL4621993 0.81 CA2 (0.43) CA2MEN1KMT2AGAAALDH1A1

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 7 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-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-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 CA2 2235/4885MEN1 1380/4885KMT2A 2030/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 CA2 2235/4885MEN1 1380/4885KMT2A 2030/4885

“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.