SCHEMBL427045

SCHEMBL427045

CC(N)(Cc1c(F)cccc1F)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.50
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 3/20 0.46
CYP1A2 P05177 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
EGFR P00533 1/20 0.46
FYN P06241 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
APEX1 P27695 1/20 0.46
ADRA1A P35348 1/20 0.46
PTGS2 P35354 1/20 0.46
MTOR P42345 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL427046 1.00 BLM (0.50) BLMALDH1A1KDM4EPOLBCYP1A2
SCHEMBL4562897 0.81 RIPK1 (0.47) BLMALDH1A1KDM4EPOLBCYP1A2
SCHEMBL29521900 0.81 BLM (0.49) BLMALDH1A1KDM4EPOLBCYP1A2
SCHEMBL12679276 0.81 BLM (0.49) BLMALDH1A1KDM4EPOLBCYP1A2
SCHEMBL427855 0.81 BLM (0.49) BLMALDH1A1KDM4EPOLBCYP1A2
SCHEMBL28690512 0.81 BLM (0.49) BLMALDH1A1KDM4EPOLBCYP1A2
SCHEMBL427854 0.81 BLM (0.49) BLMALDH1A1KDM4EPOLBCYP1A2
Hydrochloric Acid SCHEMBL3618830 0.79 BLM (0.50) BLMALDH1A1KDM4EPOLBCYP1A2
Hydrochloric Acid SCHEMBL3618833 0.79 BLM (0.50) BLMALDH1A1KDM4EPOLBCYP1A2
SCHEMBL27207977 0.77 BLM (0.42) BLMALDH1A1KDM4EPOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200399311-A1 NOVEL PEPTIDE BASED PCSK9 VACCINE ZYDUS LIFESCIENCES LIMITED (IN) 2020-12-24 US claimed
EP-3609532-A1 NOVEL PEPTIDE BASED PCSK9 VACCINE Cadila Healthcare Limited (IN) 2020-02-19 EP claimed
CN-110536696-A PCSK9 vaccine based on new peptide CADILA HEALTHCARE LTD 2019-12-03 CN claimed
WO-2018189705-A1 NOVEL PEPTIDE BASED PCSK9 VACCINE CADILA HEALTHCARE LIMITED (IN) 2018-10-18 WO claimed
US-8883963-B2 Peptidomimetics with glucagon antagonistic and GLP 1 agonistic activities CADILA HEALTHCARE LIMITED (IN) 2014-11-11 US claimed
US-8841413-B2 Antidiabetic compounds CADILA HEALTHCARE LIMITED (IN) 2014-09-23 US claimed
US-20130225488-A1 Antidiabetic Comppounds CADILA HEALTHCARE LIMITED (IN) 2013-08-29 US claimed
EP-2084182-B1 ANTIDIABETIC COMPOUNDS CADILA HEALTHCARE LTD (IN) 2013-08-28 EP claimed
US-8383581-B2 Short-chain peptides as parathyroid hormone (PTH) receptor agonist CADILA HEALTHCARE LIMITED (IN) 2013-02-26 US claimed
US-20120264685-A1 SHORT CHAIN PEPTIDOMIMETICS BASED ORALLY ACTIVE GLP 1 AGONIST AND GLUCAGON RECEPTOR ANTAGONIST CADILA HEALTHCARE LIMITED (IN) 2012-10-18 US claimed
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
EP-1883652-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2008-02-06 EP claimed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO claimed
US-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY 2007-10-11 US claimed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO claimed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2007-01-25 US claimed
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US claimed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO claimed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20070238669-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES RELATED CONDITIONS GLP1R, GIPR, IAPP BLM 4646/4885ALDH1A1 4570/4885KDM4E 2717/4885
US-20070021346-A1 N-terminally modified GLP-1 receptor modulators GLP1R, GIPR, IAPP BLM 4246/4885ALDH1A1 4813/4885KDM4E 2276/4885
US-20060287242-A1 Human glucagon-like-peptide-1 modulators and their use in treatment of diabetes and related conditions GLP1R, GIPR, IAPP BLM 4624/4885ALDH1A1 4630/4885KDM4E 2660/4885
US-20130225488-A1 Antidiabetic Comppounds GLP1R, GPR119, GIPR BLM 3564/4885ALDH1A1 4147/4885KDM4E 4266/4885
US-20120264685-A1 SHORT CHAIN PEPTIDOMIMETICS BASED ORALLY ACTIVE GLP 1 AGONIST AND GLUCAGON RECEPTOR ANTAGONIST GIPR, GLP1R, DPP4 BLM 4330/4885ALDH1A1 2704/4885KDM4E 1885/4885
US-20080045461-A1 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS GLP1R, GIPR, IAPP BLM 4271/4885ALDH1A1 4829/4885KDM4E 2366/4885
US-20200399311-A1 NOVEL PEPTIDE BASED PCSK9 VACCINE PCSK9, PCSK7, PCSK6 BLM 3368/4885ALDH1A1 4683/4885KDM4E 3848/4885

“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.