SCHEMBL3220871

SCHEMBL3220871

O=C(O)Cc1cccc(C2CCC(F)(F)C2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
AKR1B1 P15121 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
CXCL8 P10145 4/20 0.34
S1PR4 O95977 3/20 0.33
S1PR1 P21453 3/20 0.33
S1PR3 Q99500 3/20 0.33
S1PR5 Q9H228 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
TTR P02766 2/20 0.33
PTGS2 P35354 2/20 0.33
AKR1B10 O60218 1/20 0.33
UGT1A9 O60656 1/20 0.33
TRPA1 O75762 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL3042384 1.00 DUSP3 (0.40) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL2795411 1.00 DUSP3 (0.40) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL3048730 0.92 PTPN5 (0.39) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL2795318 0.92 PTPN5 (0.39) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL2793811 0.92 PTPN5 (0.39) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL27504528 0.92 AKR1B1 (0.40) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL27504531 0.89 AKR1B1 (0.42) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL1998542 0.79 PTGDR2 (0.47) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL3983073 0.77 PTGDR2 (0.49) DUSP3PTPN5PTPN11CTDSP1AKR1B1
SCHEMBL4969723 0.77 PTGDR2 (0.49) DUSP3PTPN5PTPN11CTDSP1AKR1B1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
US-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 US claimed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP claimed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
US-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-05-28 US disclosed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
EP-1968980-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2008-09-17 EP disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 WO disclosed
WO-2007110782-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-10-04 WO disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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 (3 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-20090137623-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM5 DUSP3 3924/4885PTPN5 3514/4885PTPN11 3303/4885
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 DUSP3 3732/4885PTPN5 789/4885PTPN11 878/4885
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 DUSP3 4551/4885PTPN5 1765/4885PTPN11 2200/4885

“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.