SCHEMBL3124306

SCHEMBL3124306

COC(=O)[C@@H](NCc1ccc(-c2ccc(N)cc2)cc1)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 5/20 0.59
ITGA5 P08648 5/20 0.59
ITGB3 P05106 4/20 0.59
ITGAV P06756 4/20 0.59
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MMP13 P45452 2/20 0.44
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP7 P09237 1/20 0.44
MMP9 P14780 1/20 0.44
PPID Q08752 2/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
PPIB P23284 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
SCHEMBL2443868 0.81 GAA (0.51) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL5191624 0.81 GAA (0.51) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL27693587 0.81 GAA (0.70) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL4141601 0.81 TSHR (0.54) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL5066246 0.81 GAA (0.70) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL4141597 0.81 TSHR (0.54) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL5060615 0.81 GAA (0.70) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL24326690 0.80 TRPM8 (0.59) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL1889631 0.80 TRPM8 (0.59) ITGB1ITGA5ITGB3ITGAVMEN1
SCHEMBL1889629 0.80 TRPM8 (0.59) ITGB1ITGA5ITGB3ITGAVMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 ITGB1 4504/4885ITGA5 4159/4885ITGB3 4108/4885

“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.