SCHEMBL372033

SCHEMBL372033

CC(C)(C)OC(=O)N1CCC(CO)CC1.CS(=O)(=O)O

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.54
GPR119 Q8TDV5 8/20 0.53
KDM4E B2RXH2 1/20 0.51
PKM P14618 1/20 0.51
EPHX1 P07099 1/20 0.50
HPGD P15428 1/20 0.49
STS P08842 1/20 0.48
SCN9A Q15858 1/20 0.47
GLS O94925 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL190460 0.92 NR1H2 (0.61) NR1H2GPR119KDM4EPKMEPHX1
SCHEMBL6218596 0.92 NR1H2 (0.61) NR1H2GPR119KDM4EPKMEPHX1
SCHEMBL4729255 0.91 NR1H2 (0.59) NR1H2GPR119KDM4EPKMEPHX1
SCHEMBL27600055 0.88 NR1H2 (0.60) NR1H2GPR119KDM4EPKMEPHX1
SCHEMBL7556613 0.88 GPR119 (0.51) NR1H2GPR119KDM4EPKMEPHX1
SCHEMBL3600795 0.86 HPGD (0.57) NR1H2GPR119KDM4EPKMEPHX1
SCHEMBL31271524 0.84 NR1H2 (0.52) NR1H2GPR119KDM4EPKMEPHX1
SCHEMBL8632391 0.83 GPR119 (0.55) GPR119KDM4EPKMSTS
SCHEMBL7655298 0.83 GPR119 (0.51) GPR119KDM4EPKMEPHX1HPGD
SCHEMBL1901385 0.83 GPR119 (0.54) GPR119KDM4EPKMEPHX1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3329918-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2022-05-25 EP disclosed
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
EP-3329918-A2 C-MET MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2018-06-06 EP disclosed
US-20170355678-A1 C-Met Modulators and Methods of Use EXELIXIS INC (US) 2017-12-14 US disclosed
EP-2409704-B1 c-Met modulators and methods of use EXELIXIS INC (US) 2017-09-20 EP disclosed
US-20160185725-A1 c-Met Modulators and Method of Use EXELIXIS, INC. 2016-06-30 US disclosed
US-20150376133-A1 C-Met Modulators and Methods of Use EXELIXIS, INC. 2015-12-31 US disclosed
US-9174947-B2 c-Met modulators and methods of use Exelixus, Inc. (US) 2015-11-03 US disclosed
EP-1481966-A1 NOVEL ARYLAMIDINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2004-12-01 EP disclosed
EP-0859607-B1 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-12-18 EP disclosed
EP-0859607-A4 GUANIDINO PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 1999-05-06 EP disclosed
EP-0859607-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-26 EP disclosed
US-5792769-A POTENT ANTICOAGULANT, ANTIINFLAMMATORY AGENT; TREATMENT/PROPHYLAXIS OF RESPIRATORY SYSTEM DISORDERS, VASCULAR SYSTEM DISORDERS, ANTITUMOR AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1998-08-11 US disclosed
US-5648368-A ANTICOAGULANTS MERCK & CO., INC. (US) 1997-07-15 US disclosed
WO-1997011693-A1 GUANIDINO PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1997-04-03 WO disclosed
EP-0673247-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1996-05-01 EP disclosed
EP-0673247-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-09-27 EP disclosed
WO-1994012181-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1994-06-09 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 (6 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 NR1H2 3554/4885GPR119 991/4885KDM4E 312/4885
US-20150376133-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET NR1H2 3554/4885GPR119 991/4885KDM4E 312/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET NR1H2 3554/4885GPR119 991/4885KDM4E 312/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET NR1H2 3554/4885GPR119 991/4885KDM4E 312/4885
US-20160185725-A1 c-Met Modulators and Method of Use FLT4, MET, FLT1 NR1H2 4016/4885GPR119 1722/4885KDM4E 177/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET NR1H2 3554/4885GPR119 991/4885KDM4E 312/4885

“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.