SCHEMBL3097312

SCHEMBL3097312

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(C(=O)NC(C)(C)C(=O)O)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.53
NPC1 O15118 5/20 0.53
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
KIF11 P52732 1/20 0.46
LMNA P02545 1/20 0.46
PTPN1 P18031 3/20 0.45
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL3094799 0.90 PTPN1 (0.58) RAB9ANPC1MAPTALDH1A1EPHX2
SCHEMBL3092811 0.88 MAPT (0.51) RAB9ANPC1MAPTALDH1A1EPHX2
SCHEMBL3096264 0.88 NPC1 (0.54) RAB9ANPC1MAPTALDH1A1EPHX2
SCHEMBL13515935 0.88 EPHX2 (0.48) RAB9ANPC1MAPTEPHX2NR1H4
SCHEMBL3100283 0.87 RAB9A (0.56) RAB9ANPC1MAPTALDH1A1EPHX2
SCHEMBL3092860 0.86 EPHX2 (0.58) RAB9ANPC1EPHX2NR1H4KIF11
SCHEMBL3084085 0.86 KMT2A (0.48) RAB9AALDH1A1EPHX2NR1H4PTPN1
SCHEMBL3097120 0.85 KIF11 (0.50) RAB9ANPC1ALDH1A1EPHX2NR1H4
SCHEMBL3105577 0.85 RAB9A (0.62) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL12302098 0.85 ALDH1A1 (0.55) RAB9ANPC1MAPTALDH1A1SMN1; SMN2

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 7 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-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 RAB9A 1741/4885NPC1 2959/4885MAPT 3315/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 RAB9A 1741/4885NPC1 2959/4885MAPT 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.