SCHEMBL3094741

SCHEMBL3094741

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA1 P00915 3/20 0.44
▸ CA2 P00918 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CNR1 P21554 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR2C P28335 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ SCN3A Q9NY46 2/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL3095748 0.91 JAK3 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL3097193 0.90 CA2 (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL3092264 0.90 IDH1 (0.45) CA12CA1CA2CA9ALDH1A1
SCHEMBL3095867 0.88 MEN1 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL3100409 0.88 NPC1 (0.42) MEN1KMT2ACA12CA1CA2
SCHEMBL3105677 0.87 RAB9A (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL3097301 0.86 NPC1 (0.42) MEN1KMT2ACA2NPC1ALDH1A1
SCHEMBL3100385 0.83 MEN1 (0.45) MEN1KMT2ACA12CA1CA2
SCHEMBL3088891 0.83 CA12 (0.51) MEN1KMT2ACA12CA1CA2
SCHEMBL3084068 0.83 CA12 (0.52) MEN1KMT2ACA12CA1CA2

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 MEN1 4210/4885KMT2A 636/4885CA12 4717/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MEN1 4210/4885KMT2A 636/4885CA12 4717/4885

“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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