SCHEMBL3358496

SCHEMBL3358496

Cc1nc(C(=O)O)cc2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HTR1A P08908 4/20 0.38
HTR1D P28221 4/20 0.38
HTR1B P28222 4/20 0.38
HTR2C P28335 1/20 0.37
HTR7 P34969 1/20 0.37
HTR6 P50406 1/20 0.37
CXCR2 P25025 2/20 0.37
CXCR1 P25024 1/20 0.36
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
IGFBP3 P17936 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
SCHEMBL4241709 0.84 PIM1 (0.44) KDM4EL3MBTL1
SCHEMBL4236161 0.80 KDM4E (0.52) KDM4EL3MBTL1HPGDALDH1A1POLB
SCHEMBL129974 0.78 HSD11B1 (0.42) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL28674761 0.77 MCL1 (0.50) L3MBTL1ALDH1A1POLBHSD17B10MEN1
SCHEMBL31351885 0.77 MCL1 (0.50) L3MBTL1ALDH1A1POLBHSD17B10MEN1
SCHEMBL1697068 0.75 HSD11B1 (0.45) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL4247822 0.73 LMNA (0.43) KDM4EL3MBTL1NPC1
SCHEMBL12856669 0.73 HSD11B1 (0.43) HSD11B1CA1CA2HTR1AHTR1D
SCHEMBL4243668 0.73 PIM1 (0.47) KDM4EL3MBTL1KMT2A
SCHEMBL4056753 0.73 CA1 (0.51) HSD11B1CA1CA2HTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120775-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 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-20100120775-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 HSD11B1 99/4885CA1 4634/4885CA2 4041/4885

“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.