SCHEMBL3343344

SCHEMBL3343344

OCC1Oc2c(cc(F)cc2-c2c(Cl)cccc2Cl)S1

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 1/20 0.45

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
SCHEMBL3343837 0.87 AQP1 (0.45) AQP1
SCHEMBL14194636 0.81 AQP1 (0.40) AQP1
SCHEMBL3347355 0.80 AQP1 (0.54) AQP1
SCHEMBL3343875 0.79 AQP1 (0.41) AQP1
SCHEMBL14194639 0.78 GPBAR1 (0.33)
SCHEMBL3350252 0.77 AQP1 (0.44) AQP1
SCHEMBL3343338 0.75 AKR1C3 (0.32)
SCHEMBL3343327 0.75 AQP1 (0.40) AQP1
SCHEMBL4964637 0.75 AQP1 (0.47) AQP1
SCHEMBL3343658 0.72 AQP1 (0.51) AQP1

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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
US-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2010-06-24 US disclosed
WO-2008052078-A2 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 WO disclosed
WO-2008052078-A2 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF WYETH (US) 2008-05-02 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 (1 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-20100160411-A1 BENZOXATHIINE AND BENZOXATHIOLE DERIVATIVES AND USES THEREOF HTR2C, HTR3B, HTR1A AQP1 2605/4885

“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.