SCHEMBL378574

SCHEMBL378574

COC(=O)[C@@H]1CCCN1CC(CO)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
CYP3A4 P08684 3/20 0.55
TSHR P16473 3/20 0.55
ADORA3 P0DMS8 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA2B P29275 1/20 0.51
ADORA1 P30542 1/20 0.51
LTA4H P09960 2/20 0.49
MMEL1 Q495T6 1/20 0.47
ACE P12821 1/20 0.47
PREP P48147 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 2/20 0.47
CYP1A2 P05177 1/20 0.47
FKBP1A P62942 1/20 0.47
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
ELANE P08246 1/20 0.45

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
SCHEMBL371906 1.00 ALDH1A1 (0.55) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL6017607 0.91 ACE (0.54) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL3104909 0.90 LTA4H (0.48) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL4044966 0.88 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL372167 0.88 ALDH1A1 (0.51) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL373946 0.85 CYP3A4 (0.53) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL16692005 0.84 MMEL1 (0.54) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL18065507 0.84 MMEL1 (0.54) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL26090328 0.81 SYK (0.48) ALDH1A1CYP3A4TSHRADORA3ADORA2A
SCHEMBL26090330 0.81 SYK (0.48) ALDH1A1CYP3A4TSHRADORA3ADORA2A

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-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2018-05-03 US disclosed
EP-2609919-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2013-07-03 EP disclosed
EP-2409704-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2012-01-25 EP disclosed
EP-1874759-A4 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2009-07-15 EP disclosed
EP-1874759-A1 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-01-09 EP disclosed
WO-2006108059-A1 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2006-10-12 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 (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-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 ALDH1A1 3477/4885CYP3A4 3829/4885TSHR 1640/4885

“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.