SCHEMBL3227023

SCHEMBL3227023

O=C(O)Cc1cccc(-c2ccc(F)cc2)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
MMP14 P50281 1/20 0.50
PTGDR2 Q9Y5Y4 5/20 0.47
AKR1B1 P15121 1/20 0.46
SUCNR1 Q9BXA5 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
CXCL8 P10145 1/20 0.43
HNF4A P41235 1/20 0.41

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
SCHEMBL4619074 0.86 AKR1B1 (0.41) MMP1MMP2MMP3MMP9MMP12
SCHEMBL3507028 0.85 MMP1 (0.57) MMP1MMP2MMP3MMP9MMP12
SCHEMBL7937087 0.76 AKR1B1 (0.67) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL1005911 0.76 SLC6A4 (0.44) HNF4A
SCHEMBL9056647 0.76 HNF4A (0.55) AKR1B1PTPN5HNF4APTGER1PTGER4
SCHEMBL6035567 0.75 AKR1B1 (0.55) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL4235806 0.75 AKR1B1 (0.47) MMP2MMP3MMP9AKR1B1SUCNR1
SCHEMBL11021407 0.75 ABCB11 (0.52) MMP1MMP2MMP3MMP9MMP12
SCHEMBL6924516 0.75 CA12 (0.43) MMP2MMP9MMP12AKR1B1SUCNR1
SCHEMBL3749563 0.75 TSHR (0.47) MMP1MMP2MMP3MMP9MMP12

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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US claimed
US-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-03-04 US disclosed
EP-2059505-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2009-05-20 EP disclosed
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 US disclosed
WO-2008029349-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2008-03-13 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-20100056496-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 MMP1 3137/4885MMP2 3861/4885MMP3 3659/4885
US-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 MMP1 2717/4885MMP2 3968/4885MMP3 4036/4885

“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.