SCHEMBL3105677

SCHEMBL3105677

CCc1ccc(NC(=O)Nc2ccc(-c3ccc(S(=O)(=O)OC(=O)[C@@H]4CCCN4)cc3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ TP53 P04637 5/20 0.40
▸ GHSR Q92847 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ UCHL1 P09936 1/20 0.39
▸ RORC P51449 1/20 0.39
▸ HTR2C P28335 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CA4 P22748 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL3088891 0.91 CA12 (0.51) RAB9ANPC1CA12CA1CA2
SCHEMBL3094741 0.87 MEN1 (0.44) RAB9ANPC1CA12CA1CA2
SCHEMBL3097301 0.85 NPC1 (0.42) RAB9ANPC1CA2MEN1KMT2A
SCHEMBL3100462 0.84 CA12 (0.49) RAB9ANPC1CA12CA1CA2
SCHEMBL3100409 0.83 NPC1 (0.42) RAB9ANPC1CA12CA1CA2
SCHEMBL3097193 0.83 CA2 (0.43) NPC1CA12CA1CA2CA9
SCHEMBL3100385 0.83 MEN1 (0.45) RAB9ANPC1CA12CA1CA2
SCHEMBL3095867 0.82 MEN1 (0.45) RAB9ANPC1CA12CA1CA2
SCHEMBL3092264 0.81 IDH1 (0.45) CA12CA1CA2CA9MAPT
SCHEMBL28926523 0.81 DPP4 (0.48) CA12CA1CA2CA9CA7

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 RAB9A 1741/4885NPC1 2959/4885CA12 4717/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 RAB9A 1741/4885NPC1 2959/4885CA12 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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