SCHEMBL3084068

SCHEMBL3084068

O=C(Nc1ccc(-c2ccc(S(=O)(=O)OC(=O)[C@@H]3CCCN3)cc2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.52
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 4/20 0.52
▸ CA9 Q16790 4/20 0.52
▸ MAPT P10636 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NPC1 O15118 6/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ MTOR P42345 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL3100409 0.87 NPC1 (0.42) CA12CA1CA2CA9MAPT
SCHEMBL3100385 0.84 MEN1 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL3095748 0.84 JAK3 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL3226478 0.83 NPC1 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL3225976 0.83 NPC1 (0.56) CA12CA1CA2CA9MAPT
SCHEMBL3092264 0.83 IDH1 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL3094741 0.83 MEN1 (0.44) CA12CA1CA2CA9MAPT
SCHEMBL3095867 0.81 MEN1 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL3097193 0.81 CA2 (0.43) CA12CA1CA2CA9MAPT
SCHEMBL3097301 0.81 NPC1 (0.42) CA2MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 — — US claimed
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-09-16 — — US disclosed
US-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 — — 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 (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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BCAT2, BCAT1, FABP4 CA12 4717/4885CA1 4445/4885CA2 3885/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 CA12 4717/4885CA1 4445/4885CA2 3885/4885

“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.

Send feedback