SCHEMBL2790732

SCHEMBL2790732

Cc1c(-c2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c(O)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.47
GLRB P48167 1/20 0.47
PTPN5 P54829 1/20 0.46
XDH P47989 2/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PIN1 Q13526 1/20 0.44
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
TOP2A P11388 1/20 0.43
DHODH Q02127 1/20 0.41
KMO O15229 2/20 0.41
CNR2 P34972 1/20 0.41
KDM4E B2RXH2 1/20 0.41
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39

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
SCHEMBL4132943 0.87 GLRA3 (0.51) GLRA3GLRBALDH1A1SMN1; SMN2AKR1C3
SCHEMBL2789396 0.85 GLRA3 (0.49) GLRA3GLRBPTPN5TOP2ADHODH
SCHEMBL2789477 0.84 GLRA3 (0.57) GLRA3GLRBPTPN5ALDH1A1SMN1; SMN2
SCHEMBL4121457 0.81 GLRA3 (0.47) GLRA3GLRBPTPN5ALDH1A1SMN1; SMN2
SCHEMBL2790750 0.81 GLRA3 (0.47) GLRA3GLRBALDH1A1PIN1AKR1C3
SCHEMBL4116240 0.80 GLRA3 (0.46) GLRA3GLRBXDHPIN1CNR2
SCHEMBL2789496 0.79 GLRA3 (0.50) GLRA3GLRBXDHALDH1A1SMN1; SMN2
SCHEMBL4122027 0.78 GLRA3 (0.69) GLRA3GLRBALDH1A1SMN1; SMN2ALOX15
SCHEMBL2787696 0.78 GLRA3 (0.53) GLRA3GLRBDHODH
SCHEMBL2789240 0.78 GLRA3 (0.49) GLRA3GLRBAKR1C3AKR1C2DHODH

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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 US claimed
US-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES NOVO NORDICK A/S (DK) 2010-02-18 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-20100041657-A1 HALOALKYLSULFONE SUBSTITUTED COMPOUNDS USEFUL FOR TREATING OBESITY AND DIABETES RPS12, GPR119, ATP12A GLRA3 1540/4885GLRB 1915/4885PTPN5 3460/4885

“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.