SCHEMBL377122

SCHEMBL377122

Cc1c(C(=O)O)c(=O)n(-c2ccccc2)n1CC(C)O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 20/20 0.59

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
SCHEMBL377244 1.00 ABCB1 (0.59) ABCB1
SCHEMBL2949349 1.00 ABCB1 (0.59) ABCB1
SCHEMBL2353907 0.89 ABCB1 (0.57) ABCB1
SCHEMBL13236579 0.83 ABCB1 (0.52) ABCB1
SCHEMBL13236578 0.83 ABCB1 (0.52) ABCB1
SCHEMBL15550275 0.82 ABCB1 (0.52) ABCB1
SCHEMBL198057 0.80 ABCB1 (0.50) ABCB1
SCHEMBL13236553 0.80 ABCB1 (0.48) ABCB1
SCHEMBL200546 0.78 ABCB1 (0.49) ABCB1
SCHEMBL14146432 0.75 ABCB1 (0.43) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408300-B1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO LTD (CN) 2016-05-11 EP disclosed
US-8232294-B2 Amino ester derivatives, sailts thereof and methods of use Xi, Ning (US) 2012-07-31 US disclosed
EP-2408300-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE Sunshine Lake Pharma Co., Ltd (CN) 2012-01-25 EP disclosed
WO-2010111063-A1 AMINO ESTER DERIVATIVES, SALTS THEREOF AND METHODS OF USE XI NING (US) 2010-09-30 WO disclosed
US-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2010-09-23 US disclosed
US-7759344-B2 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
EP-2118069-A2 BIS-ARYL AMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2009-11-18 EP disclosed
US-20080234268-A1 Bis-aryl amide derivatives and methods of use AMGEN INC. (US) 2008-09-25 US disclosed
WO-2008086014-A2 BIS-ARYL AMIDE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2008-07-17 WO 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-20100239576-A1 AMINO ESTER DERIVATIVES, SAILTS THEREOF AND METHODS OF USE SRC, BCAT1, BCAT2 ABCB1 3454/4885
US-20080234268-A1 Bis-aryl amide derivatives and methods of use MET, REL, NAT1 ABCB1 104/4885

“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.