SCHEMBL3084064

SCHEMBL3084064

O=C(Nc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2)cc1)Nc1ccc(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.55
THRB P10828 3/20 0.55
MAPT P10636 2/20 0.55
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
ALDH1A1 P00352 2/20 0.54
TSHR P16473 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
GLA P06280 1/20 0.52
BRD4 O60885 1/20 0.52
TP53 P04637 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 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
SCHEMBL20271460 0.88 ALDH1A1 (0.67) LMNASMN1; SMN2GAATHRBMAPT
SCHEMBL3100401 0.87 HCRTR1 (0.61) LMNASMN1; SMN2THRBMAPTALDH1A1
SCHEMBL23787103 0.84 BRD4 (0.66) SMN1; SMN2THRBMAPTCA12CA1
SCHEMBL3095745 0.83 ALDH1A1 (0.53) LMNASMN1; SMN2THRBMAPTALDH1A1
SCHEMBL3121197 0.83 GLA (0.65) ALDH1A1TSHRL3MBTL1GLABRD4
SCHEMBL3100378 0.83 GLA (0.65) ALDH1A1TSHRL3MBTL1GLABRD4
SCHEMBL3121161 0.82 DGAT1 (0.59) LMNASMN1; SMN2THRBMAPTKMT2A
SCHEMBL3108692 0.82 DGAT1 (0.59) LMNASMN1; SMN2THRBMAPTKMT2A
SCHEMBL3094736 0.81 ALDH1A1 (0.60) LMNASMN1; SMN2THRBMAPTALDH1A1
SCHEMBL3092258 0.81 ALDH1A1 (0.53) LMNASMN1; SMN2THRBMAPTALDH1A1

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 LMNA 1973/4885SMN1; SMN2 4427/4885GAA 1025/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 LMNA 1973/4885SMN1; SMN2 4427/4885GAA 1025/4885

“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.