SCHEMBL3105671

SCHEMBL3105671

CCc1ccc(NC(=O)Nc2ccc(-c3ccc(S(=O)(=O)N4CCC[C@H]4C(=O)O)cc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
FKBP1A P62942 4/20 0.55
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
BRD4 O60885 2/20 0.53
TP53 P04637 1/20 0.53
MMP2 P08253 2/20 0.52
MMP9 P14780 2/20 0.52
HTT P42858 1/20 0.51
TSHR P16473 3/20 0.51
MAPK1 P28482 1/20 0.50
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
BRD2 P25440 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL5155592 0.90 ALDH1A1 (0.54) ALDH1A1KDM4ERXFP1FKBP1AKMT2A
SCHEMBL3088888 0.90 ALDH1A1 (0.56) ALDH1A1KDM4ERXFP1FKBP1AKMT2A
SCHEMBL12509430 0.88 FKBP1A (0.64) ALDH1A1KDM4ERXFP1FKBP1AKMT2A
SCHEMBL3094736 0.86 ALDH1A1 (0.60) ALDH1A1POLBMAPTBRD4MMP2
SCHEMBL3097288 0.84 HCRTR1 (0.63) ALDH1A1MAPTBRD4MMP2MMP9
SCHEMBL20271477 0.84 BRD4 (0.71) ALDH1A1KDM4EKMT2AMAPTBRD4
SCHEMBL23787093 0.83 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AMAPTBRD4
SCHEMBL20271460 0.83 ALDH1A1 (0.67) ALDH1A1KMT2AMAPTBRD4TP53
SCHEMBL3100401 0.83 HCRTR1 (0.61) ALDH1A1MAPTBRD4TP53MMP2
SCHEMBL3097184 0.82 HCRTR1 (0.62) ALDH1A1KMT2AMAPTBRD4MMP2

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 6 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-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

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 ALDH1A1 793/4885KDM4E 618/4885RXFP1 1200/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 ALDH1A1 793/4885KDM4E 618/4885RXFP1 1200/4885

“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.