SCHEMBL2269889

SCHEMBL2269889

CCC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PTPN1 P18031 2/20 0.59
GSK3B P49841 1/20 0.59
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.50
MMP8 P22894 1/20 0.50
ALDH1A1 P00352 1/20 0.49
KIF11 P52732 3/20 0.48
HSD11B1 P28845 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
SRD5A2 P31213 1/20 0.47
NR4A1 P22736 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
SCHEMBL478183 0.94 PTPN1 (0.66) MAPTSMN1; SMN2L3MBTL1PTPN1GSK3B
SCHEMBL11137241 0.86 PTPN1 (0.57) MAPTSMN1; SMN2L3MBTL1PTPN1GSK3B
SCHEMBL31279403 0.86 HPGD (0.64) MAPTSMN1; SMN2L3MBTL1PTPN1GSK3B
SCHEMBL10389933 0.84 SMN1; SMN2 (0.83) MAPTSMN1; SMN2L3MBTL1PTPN1GSK3B
SCHEMBL21834400 0.84 DHODH (0.53) MAPTSMN1; SMN2L3MBTL1CES2ALDH1A1
SCHEMBL4831377 0.83 HTR7 (0.60) MAPTSMN1; SMN2L3MBTL1PTPN1GSK3B
SCHEMBL11139436 0.82 PTPN1 (0.60) MAPTPTPN1GSK3BCES2CES1
SCHEMBL11138890 0.80 PTPN1 (0.54) MAPTSMN1; SMN2L3MBTL1PTPN1GSK3B
SCHEMBL6602154 0.80 PTPN1 (0.62) MAPTPTPN1GSK3BCES2CES1
SCHEMBL28098469 0.80 CES2 (0.59) MAPTSMN1; SMN2L3MBTL1CES2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103298344-A Integrin-linked kinase inhibitors UNIV OHIO STATE RES FOUND 2013-09-11 CN disclosed
EP-1758859-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2013-07-17 EP disclosed
US-7989457-B2 Used to treat diabetic and other glucagon related metabolic disorders such as obesity, hyperglycemia, atherosclerosis, ischemic heart disease, stroke, neuropathy, and wound healing; (R,S)-Methanesulfonic acid 2-(3-methyl-4'-trifluoromethyl-biphenyl-4-yl)-propyl ester ELI LILLY AND COMPANY (US) 2011-08-02 US disclosed
US-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-05-29 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 (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-20080125468-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR MAPT 4731/4885SMN1; SMN2 3242/4885L3MBTL1 4395/4885

“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.