SCHEMBL3103380

SCHEMBL3103380

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)N(C)[C@@H](C)C(=O)O)cc3)cc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CSGALNACT1 Q8TDX6 2/20 0.49
MAPK1 P28482 2/20 0.46
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
ALOX12 P18054 1/20 0.44
CXCR2 P25025 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.40

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
SCHEMBL3082198 0.89 IDH1 (0.46) CSGALNACT1MAPK1MAPTMEN1KMT2A
SCHEMBL3103401 0.88 CA12 (0.53) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3089038 0.85 MAPT (0.58) MAPK1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3095997 0.84 ALDH1A1 (0.50) CSGALNACT1MAPK1MAPTMEN1KMT2A
SCHEMBL3088967 0.83 HRH3 (0.49) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3082187 0.82 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3096247 0.82 SMN1; SMN2 (0.57) CSGALNACT1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3105662 0.81 SMN1; SMN2 (0.52) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3084132 0.80 MEN1 (0.51) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3091001 0.80 DGAT1 (0.49) CSGALNACT1MAPK1MAPTMEN1KMT2A

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 8 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-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-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
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
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 CSGALNACT1 3844/4885MAPK1 3004/4885MAPT 3315/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 CSGALNACT1 3844/4885MAPK1 3004/4885MAPT 3315/4885

“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.