SCHEMBL372137

SCHEMBL372137

CCSC=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.44
SMN1; SMN2 Q16637 2/20 0.37
CYP2C9 P11712 2/20 0.37
LMNA P02545 1/20 0.37
PTPN1 P18031 4/20 0.36
ACP1 P24666 2/20 0.36
CDC25B P30305 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL1946874 0.81 PTPN1 (0.42) ALDH1A1CYP2C9PTPN1ACP1CDC25B
SCHEMBL10988669 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP2C9LMNAPTPN1
SCHEMBL7137074 0.76 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAPTPN1CRHBP
SCHEMBL3082564 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP2C9LMNAPTPN1
SCHEMBL10990467 0.71 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CYP2C9LMNACRHBP
SCHEMBL4928133 0.69 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2L3MBTL1KDM4ETSHR
SCHEMBL2062684 0.68 ALDH1A1 (0.44) ALDH1A1CYP2C9PTPN1ACP1CDC25B
SCHEMBL9730908 0.68
SCHEMBL12041925 0.67 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP2C9LMNAPTPN1
SCHEMBL5171537 0.66 PTPN1 (0.45) ALDH1A1SMN1; SMN2CYP2C9LMNAPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4547516-A Antisecretory agents derived from meldrum's acid AMERICAN HOME PRODUCTS CORPORATION (US) 1985-10-15 US claimed
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
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-20070054928-A1 c-Met modulators and methods of use EXELIXIS, INC. (US) 2007-03-08 US disclosed
US-20060270671-A1 Substituted 3-amino-thieno[2,3-b] pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-11-30 US disclosed
US-20060264427-A1 3-amino-N-[4-(2-morpholin-4-yl-1-benzopyran-4-one)-dibenzofuran-1-yl]-propionamides ; anticancer, antitumor agents KUDOS PHARMACEUTICALS LIMITED (GB) 2006-11-23 US disclosed
US-20060264623-A1 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2006-11-23 US disclosed
US-7119102-B2 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-10 US disclosed
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-08-18 US disclosed
US-20030105073-A1 Quinolone derivatives CELLTECH R&D LIMITED (GB) 2003-06-05 US disclosed
WO-2003035066-A1 2-AMINOQUINOLONE DERIVATIVES FOR USE AS IMPDH INHIBITORS CELLTECH R & D LIMITED (GB) 2003-05-01 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 (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 ALDH1A1 2072/4885SMN1; SMN2 4421/4885CYP2C9 2733/4885
US-20050182053-A1 Substituted 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses NFKBIA, IKBKG, IKBKE ALDH1A1 3655/4885SMN1; SMN2 3793/4885CYP2C9 1657/4885
US-20070054928-A1 c-Met modulators and methods of use FLT4, FLT1, MET ALDH1A1 2072/4885SMN1; SMN2 4421/4885CYP2C9 2733/4885
US-20060270671-A1 Substituted 3-amino-thieno[2,3-b] pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses CPS1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TK2 ALDH1A1 371/4885SMN1; SMN2 1808/4885CYP2C9 117/4885
US-20150376133-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET ALDH1A1 2072/4885SMN1; SMN2 4421/4885CYP2C9 2733/4885
US-20170355678-A1 C-Met Modulators and Methods of Use FLT4, FLT1, MET ALDH1A1 2072/4885SMN1; SMN2 4421/4885CYP2C9 2733/4885
US-20210253530-A9 C-MET MODULATORS AND METHODS OF USE FLT4, FLT1, MET ALDH1A1 2072/4885SMN1; SMN2 4421/4885CYP2C9 2733/4885
US-20070225307-A1 C-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 ALDH1A1 2578/4885SMN1; SMN2 4701/4885CYP2C9 3367/4885
US-20160185725-A1 c-Met Modulators and Method of Use FLT4, MET, FLT1 ALDH1A1 2578/4885SMN1; SMN2 4701/4885CYP2C9 3367/4885
US-20070244116-A1 c-MET MODULATORS AND METHOD OF USE FLT4, MET, FLT1 ALDH1A1 2578/4885SMN1; SMN2 4701/4885CYP2C9 3367/4885
US-11124482-B2 C-met modulators and methods of use FLT4, FLT1, MET ALDH1A1 2072/4885SMN1; SMN2 4421/4885CYP2C9 2733/4885
US-20060264623-A1 DNA-PK inhibitors TOP2B, TOP2A, POLN ALDH1A1 2579/4885SMN1; SMN2 4103/4885CYP2C9 709/4885
US-20030105073-A1 Quinolone derivatives IFNAR1, CBR1, IMPDH1 ALDH1A1 345/4885SMN1; SMN2 4781/4885CYP2C9 178/4885
US-20060264427-A1 3-amino-N-[4-(2-morpholin-4-yl-1-benzopyran-4-one)-dibenzofuran-1-yl]-propionamides ; anticancer, antitumor agents POLK, DCK, POLN ALDH1A1 1666/4885SMN1; SMN2 2812/4885CYP2C9 1940/4885

“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.