SCHEMBL3115162

SCHEMBL3115162

COC(=O)C1CCCN1S(=O)(=O)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.62
HCRTR2 O43614 5/20 0.62
CASP3 P42574 1/20 0.60
MMP1 P03956 3/20 0.56
MMP3 P08254 2/20 0.56
MMP7 P09237 1/20 0.56
MMP13 P45452 1/20 0.56
ALDH1A1 P00352 3/20 0.55
KMT2A Q03164 1/20 0.55
GHSR Q92847 1/20 0.54
FKBP1A P62942 1/20 0.54
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
ADAM17 P78536 1/20 0.52
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP3A4 P08684 1/20 0.51

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
SCHEMBL3096773 1.00 HCRTR1 (0.62) HCRTR1HCRTR2CASP3MMP1MMP3
SCHEMBL5885922 0.88 ALDH1A1 (0.70) HCRTR1HCRTR2CASP3ALDH1A1KMT2A
SCHEMBL5885924 0.88 ALDH1A1 (0.70) HCRTR1HCRTR2CASP3ALDH1A1KMT2A
SCHEMBL21442025 0.86 LMNA (0.62) HCRTR1HCRTR2CASP3MMP1ALDH1A1
SCHEMBL16763213 0.86 CASP3 (0.60) HCRTR1HCRTR2CASP3MMP1MMP3
SCHEMBL16763211 0.86 CASP3 (0.60) HCRTR1HCRTR2CASP3MMP1MMP3
SCHEMBL7992848 0.86 MMP1 (0.70) HCRTR1HCRTR2MMP1MMP3MMP7
SCHEMBL3904609 0.86 MMP2 (0.64) CASP3ALDH1A1KMT2AFKBP1AMMP2
SCHEMBL695760 0.86 MMP2 (0.64) CASP3ALDH1A1KMT2AFKBP1AMMP2
SCHEMBL16014995 0.86 CASP3 (0.62) HCRTR1HCRTR2CASP3MMP1MMP3

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 HCRTR1 912/4885HCRTR2 832/4885CASP3 1237/4885

“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.