SCHEMBL3084085

SCHEMBL3084085

Cc1cccc(C)c1NC(=O)Nc1ccc(-c2ccc(C(=O)NC(C)(C)C(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
EPHB4 P54760 2/20 0.47
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTPN1 P18031 4/20 0.43
TRPV1 Q8NER1 1/20 0.42
POLB P06746 2/20 0.42
RAB9A P51151 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
HPSE Q9Y251 1/20 0.41
CNR1 P21554 1/20 0.41
DEGS1 O15121 1/20 0.41
IDH1 O75874 1/20 0.41

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 0.87 PTPN1 (0.58) KMT2AALDH1A1EPHX2NR1H4PTPN1
SCHEMBL3095885 0.87 MEN1 (0.46) KMT2AALDH1A1POLBRAB9AIDH1
SCHEMBL3097312 0.86 RAB9A (0.53) KMT2AALDH1A1EPHX2NR1H4PTPN1
SCHEMBL3100283 0.84 RAB9A (0.56) KMT2AALDH1A1KDREPHX2NR1H4
SCHEMBL3096264 0.82 NPC1 (0.54) KMT2AALDH1A1EPHX2NR1H4RAB9A
SCHEMBL13515935 0.82 EPHX2 (0.48) KMT2AEPHX2NR1H4PTPN1TRPV1
SCHEMBL3092860 0.81 EPHX2 (0.58) EPHX2NR1H4TRPV1RAB9A
SCHEMBL3092811 0.80 MAPT (0.51) KMT2AALDH1A1EPHX2NR1H4RAB9A
SCHEMBL3097120 0.80 KIF11 (0.50) KMT2AALDH1A1EPHX2NR1H4PTPN1
SCHEMBL3105577 0.80 RAB9A (0.62) KMT2APOLBRAB9ACTDSP1

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-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

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 KMT2A 636/4885ALDH1A1 793/4885EPHB4 1112/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 KMT2A 636/4885ALDH1A1 793/4885EPHB4 1112/4885

“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.