SCHEMBL3048730

SCHEMBL3048730

O=C(O)Cc1cccc(C2CCCC(F)(F)C2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.39
DUSP3 P51452 1/20 0.39
PTPN11 Q06124 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
AKR1B1 P15121 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CXCL8 P10145 4/20 0.33
TTR P02766 2/20 0.32
PTGS2 P35354 2/20 0.32
TRPA1 O75762 2/20 0.32
AGTR2 P50052 2/20 0.32
AKR1B10 O60218 1/20 0.32
UGT1A9 O60656 1/20 0.32
ABCB11 O95342 1/20 0.32
MT-CO2 P00403 1/20 0.32
ALB P02768 1/20 0.32
UGT1A6 P19224 1/20 0.32
UGT1A1 P22309 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL2793811 1.00 PTPN5 (0.39) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL2795318 1.00 PTPN5 (0.39) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL3220871 0.92 DUSP3 (0.40) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL3042384 0.92 DUSP3 (0.40) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL2795411 0.92 DUSP3 (0.40) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL27504531 0.87 AKR1B1 (0.42) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL27504528 0.84 AKR1B1 (0.40) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL1998542 0.82 PTGDR2 (0.47) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL3983073 0.81 PTGDR2 (0.49) PTPN5DUSP3PTPN11CTDSP1AKR1B1
SCHEMBL4969723 0.81 PTGDR2 (0.49) PTPN5DUSP3PTPN11CTDSP1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US claimed
US-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2010-09-02 US 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-20100222393-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRM1 PTPN5 2481/4885DUSP3 4328/4885PTPN11 2480/4885

“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.