SCHEMBL3100147

SCHEMBL3100147

CC(C)[C@@H](C(=O)O)N(C)C(=O)c1ccc(-c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
HSD17B10 Q99714 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTPN1 P18031 5/20 0.46
XDH P47989 2/20 0.45
TRPV1 Q8NER1 1/20 0.45
MCHR1 Q99705 1/20 0.44
SLC2A1 P11166 1/20 0.44
NT5E P21589 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
DEGS1 O15121 1/20 0.43

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
SCHEMBL3099609 0.92 MEN1 (0.49) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3096929 0.88 PTPN1 (0.59) NPC1RAB9ASMN1; SMN2PTPN1KMT2A
SCHEMBL3088525 0.88 MAPT (0.51) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3087236 0.87 MEN1 (0.51) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3092704 0.86 NR1H4 (0.46) MAPTNPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL3103323 0.84 NPC1 (0.48) MAPTNPC1RAB9ASMN1; SMN2PTPN1
SCHEMBL3105900 0.83 PTPN1 (0.41) NPC1RAB9APTPN1MCHR1KMT2A
SCHEMBL3088536 0.82 MAPT (0.63) MAPTHSD17B10SMN1; SMN2KMT2AKDM4E
SCHEMBL3100204 0.82 MEN1 (0.55) MAPTHSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL3091625 0.82 MAPT (0.48) MAPTNPC1RAB9ASMN1; SMN2KMT2A

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 8 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-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
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 MAPT 3315/4885HSD17B10 1142/4885NPC1 2959/4885
US-20100234307-A1 PREPARATION AND USE OF BIPHENYL AMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BCAT2, BCAT1, FABP4 MAPT 3315/4885HSD17B10 1142/4885NPC1 2959/4885

“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.