SCHEMBL16005102

SCHEMBL16005102

O=C(O)c1cccc(COc2ccc(-c3cc(F)c(F)c4ccoc34)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 13/20 0.73
MRGPRX4 Q96LA9 6/20 0.53
TP53 P04637 1/20 0.51
PKM P14618 1/20 0.51
NFKB1 P19838 1/20 0.51
RAB9A P51151 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL16224780 0.91 GYS1 (0.70) GYS1
SCHEMBL16005091 0.88 GYS1 (0.70) GYS1MRGPRX4
SCHEMBL16004985 0.87 GYS1 (0.69) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL16005279 0.85 GYS1 (1.00) GYS1
SCHEMBL17505638 0.84 GYS1 (0.69) GYS1
SCHEMBL14933727 0.84 GYS1 (1.00) GYS1
SCHEMBL16005024 0.84 GYS1 (0.68) GYS1MRGPRX4TP53PKMNFKB1
SCHEMBL17505810 0.83 GYS1 (0.71) GYS1
SCHEMBL17505746 0.82 GYS1 (0.83) GYS1
SCHEMBL17505748 0.82 GYS1 (0.66) GYS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2016-05-19 US disclosed
US-9290487-B2 Pharmaceutical composition for treating diabetes AJINOMOTO CO., INC. (JP) 2016-03-22 US disclosed
EP-2993167-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES Ajinomoto Co., Inc. (JP) 2016-03-09 EP disclosed
EP-2993167-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES Ajinomoto Co., Inc. (JP) 2016-03-09 EP disclosed
US-20160046592-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES AJINOMOTO CO., INC. (JP) 2016-02-18 US disclosed
US-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2014-11-13 US disclosed
WO-2014178381-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES 味の素株式会社 (JP) 2014-11-06 WO disclosed
WO-2014178389-A1 PHARMACEUTICAL COMPOSITION FOR TREATMENT OF DIABETES 味の素株式会社 (JP) 2014-11-06 WO disclosed
EP-2774917-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES Ajinomoto Co., Inc. (JP) 2014-09-10 EP 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 (3 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-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 GYS1 5/4885MRGPRX4 1513/4885TP53 3718/4885
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 GYS1 5/4885MRGPRX4 1513/4885TP53 3718/4885
US-20160046592-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES PPARG, GPR119, PPARA GYS1 7/4885MRGPRX4 1626/4885TP53 3113/4885

“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.