SCHEMBL373946

SCHEMBL373946

COC(=O)[C@@H]1CCCN1C[C@H](NC(=O)OCc1ccccc1)C(O)C(O)C(O)CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.53
ALDH1A1 P00352 3/20 0.53
TSHR P16473 3/20 0.53
ADORA3 P0DMS8 1/20 0.53
ADORA2A P29274 1/20 0.53
ADORA2B P29275 1/20 0.53
ADORA1 P30542 1/20 0.53
KLK5 Q9Y337 1/20 0.47
PREP P48147 3/20 0.45
LTA4H P09960 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
POLB P06746 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
LMNA P02545 2/20 0.44
ACE P12821 1/20 0.43
FKBP1A P62942 1/20 0.43
MMEL1 Q495T6 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL378574 0.85 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRADORA3ADORA2A
SCHEMBL371906 0.85 ALDH1A1 (0.55) CYP3A4ALDH1A1TSHRADORA3ADORA2A
SCHEMBL4044966 0.77 ALDH1A1 (0.51) CYP3A4ALDH1A1TSHRADORA3ADORA2A
SCHEMBL372167 0.77 ALDH1A1 (0.51) CYP3A4ALDH1A1TSHRADORA3ADORA2A
SCHEMBL7274187 0.76 ADORA3 (0.73) CYP3A4ALDH1A1TSHRADORA3ADORA2A
SCHEMBL19000309 0.76 CTRB1 (0.53) CYP3A4ALDH1A1TSHRCYP2C9CYP2C19
SCHEMBL6017607 0.76 ACE (0.54) CYP3A4ALDH1A1TSHRADORA3ADORA2A
SCHEMBL3104909 0.76 LTA4H (0.48) CYP3A4ALDH1A1TSHRADORA3ADORA2A
SCHEMBL31642529 0.74 MEN1 (0.54) CYP3A4ALDH1A1TSHRLTA4HPOLB
SCHEMBL7099349 0.74 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRADORA3ADORA2A

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124482-B2 C-met modulators and methods of use EXELIXIS, INC. (US) 2021-09-21 US disclosed
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. 2021-08-19 US disclosed
US-20200331860-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2020-10-22 US disclosed
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof SYMPHONY EVOLUTION, INC. (US) 2019-04-23 US disclosed
EP-1521747-B1 RECEPTOR-TYPE KINASE MODULATORS AND METHODS OF USE SYMPHONY EVOLUTION INC (US) 2018-09-05 EP disclosed
EP-3329918-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2018-06-06 EP disclosed
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use SYMPHONY EVOLUTION, INC. (US) 2018-05-03 US disclosed
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 US disclosed
US-9796704-B2 Substituted quinazolines as receptor-type kinase inhibitors SYMPHONY EVOLUTION, INC. (US) 2017-10-24 US disclosed
EP-2409704-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2017-09-20 EP disclosed
US-20090170896-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2009-07-02 US disclosed
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE EXELIXIS, INC (US) 2009-04-23 US disclosed
US-20080161305-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. (US) 2008-07-03 US disclosed
EP-1874759-A1 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2008-01-09 EP disclosed
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-10-18 US disclosed
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. (US) 2007-09-27 US disclosed
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE EXELIXIS, INC. 2007-08-02 US disclosed
US-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 US disclosed
WO-2006108059-A1 C-MET MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2006-10-12 WO disclosed
US-20060069077-A1 Receptor-type kinase modulators and methods of use KADMON CORPORATION, LLC 2006-03-30 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 (14 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-20200331860-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET CYP3A4 1264/4885ALDH1A1 2072/4885TSHR 2803/4885
US-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET CYP3A4 1264/4885ALDH1A1 2072/4885TSHR 2803/4885
US-20060069077-A1 Receptor-type kinase modulators and methods of use EGFR, EPHA2, ERBB4 CYP3A4 3829/4885ALDH1A1 3477/4885TSHR 1640/4885
US-10266518-B2 Solid dosage formulations of substituted quinazoline receptor-type kinase modulators and methods of use thereof EGFR, ERBB4, ERBB3 CYP3A4 1416/4885ALDH1A1 3597/4885TSHR 1739/4885
US-20180118724-A1 Receptor-Type Kinase Modulators and Methods of Use EGFR, EPHA2, ERBB4 CYP3A4 3829/4885ALDH1A1 3477/4885TSHR 1640/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET CYP3A4 1264/4885ALDH1A1 2072/4885TSHR 2803/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET CYP3A4 1264/4885ALDH1A1 2072/4885TSHR 2803/4885
US-20080161305-A1 C-Met Modulators and Methods of Use MET, HGFAC, HGF CYP3A4 4178/4885ALDH1A1 2327/4885TSHR 3278/4885
US-20090170896-A1 c-Met modulators and methods of use FLT4, MET, FLT1 CYP3A4 2022/4885ALDH1A1 2597/4885TSHR 2908/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 CYP3A4 1734/4885ALDH1A1 2578/4885TSHR 2806/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 CYP3A4 1734/4885ALDH1A1 2578/4885TSHR 2806/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET CYP3A4 1264/4885ALDH1A1 2072/4885TSHR 2803/4885
US-20090105299-A1 c-MET MODULATORS AND METHODS OF USE FLT4, MET, FLT1 CYP3A4 2022/4885ALDH1A1 2597/4885TSHR 2908/4885
US-20070179130-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, KDR CYP3A4 2050/4885ALDH1A1 2382/4885TSHR 2031/4885

“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.