SCHEMBL3097193

SCHEMBL3097193

O=C(Nc1ccc(-c2ccc(S(=O)(=O)OC(=O)[C@@H]3CCCN3)cc2)cc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 5/20 0.43
▸ CA1 P00915 3/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ EPHX1 P07099 2/20 0.43
▸ EPHX2 P34913 2/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ ADRA1A P35348 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ NLRP3 Q96P20 1/20 0.43
▸ KDR P35968 1/20 0.42

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
SCHEMBL3094741 0.90 MEN1 (0.44) CA2CA1CA9CA12EPHX1
SCHEMBL3095748 0.87 JAK3 (0.51) CA2CA1CA9CA12MEN1
SCHEMBL3095867 0.87 MEN1 (0.45) CA2CA1CA9CA12MEN1
SCHEMBL3097301 0.86 NPC1 (0.42) CA2MEN1KMT2ANPC1KDR
SCHEMBL3100409 0.86 NPC1 (0.42) CA2CA1CA9CA12MEN1
SCHEMBL3092264 0.86 IDH1 (0.45) CA2CA1CA9CA12LMNA
SCHEMBL3105677 0.83 RAB9A (0.43) CA2CA1CA9CA12MEN1
SCHEMBL3095860 0.82 EPHX1 (0.45) EPHX1EPHX2MEN1KMT2ALMNA
SCHEMBL3100385 0.82 MEN1 (0.45) CA2CA1CA9CA12MEN1
SCHEMBL3084068 0.81 CA12 (0.52) CA2CA1CA9CA12MEN1

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 4 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-20100016295-A1 Preparation and Use of Biphenyl Amino Acid Derivatives for the Treatment of Obesity BAYER HEALTHCARE LLC (US) 2010-01-21 — — 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 CA2 3885/4885CA1 4445/4885CA9 3452/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 CA2 3885/4885CA1 4445/4885CA9 3452/4885

“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.

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