SCHEMBL3097301

SCHEMBL3097301

Cc1ccc(NC(=O)Nc2ccc(-c3ccc(S(=O)(=O)OC(=O)[C@@H]4CCCN4)cc3)cc2)cc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ P2RY1 P47900 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ROCK2 O75116 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ LCK P06239 1/20 0.40
▸ RET P07949 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ BLK P51451 1/20 0.40
▸ PRKCD Q05655 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ NTRK3 Q16288 1/20 0.40

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
SCHEMBL3092264 0.88 IDH1 (0.45) CA2ALDH1A1IDH1
SCHEMBL3100385 0.88 MEN1 (0.45) NPC1RAB9AMEN1KMT2ACA2
SCHEMBL3097193 0.86 CA2 (0.43) NPC1P2RY1MEN1KMT2APOLB
SCHEMBL3100409 0.86 NPC1 (0.42) NPC1RAB9AMEN1KMT2AKDR
SCHEMBL3094741 0.86 MEN1 (0.44) NPC1RAB9AMEN1KMT2ACA2
SCHEMBL3105677 0.85 RAB9A (0.43) NPC1RAB9AMEN1KMT2ATSHR
SCHEMBL3103404 0.82 NPC1 (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3088891 0.82 CA12 (0.51) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3084068 0.81 CA12 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3095748 0.81 JAK3 (0.51) NPC1RAB9AMEN1KMT2ACA2

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 4 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-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 NPC1 2959/4885RAB9A 1741/4885P2RY1 2400/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 NPC1 2959/4885RAB9A 1741/4885P2RY1 2400/4885

“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.

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