SCHEMBL4620402

SCHEMBL4620402

Cc1ccc(S(=O)(=O)OC[C@H]2CCc3ccc(F)c(-c4ccc(Cl)cc4Cl)c3O2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.39
ALDH1A1 P00352 2/20 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
MME P08473 2/20 0.35
CA2 P00918 1/20 0.33
PTGS2 P35354 6/20 0.32
DPP4 P27487 1/20 0.32
KMT2A Q03164 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
PTGS1 P23219 2/20 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
SCHEMBL4621526 0.94 ALDH1A1 (0.37) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4619499 0.90 ALDH1A1 (0.39) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4961677 0.85 FFAR1 (0.36) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4229050 0.81 AQP1 (0.36) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4621395 0.81 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4234327 0.81 AQP1 (0.48) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4229086 0.80 AQP1 (0.60) AQP1ALDH1A1CYP3A4CYP2D6TSHR
SCHEMBL4621540 0.79 CA2 (0.38) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4621522 0.79 CA2 (0.39) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL4236010 0.79 AQP1 (0.48) 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 3318/4885ALDH1A1 2512/4885CYP3A4 340/4885
US-20060258714-A1 Chromane and chromene derivatives and uses thereof HTR1A, HTR2C, CHRM1 AQP1 3318/4885ALDH1A1 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.