SCHEMBL16005108

SCHEMBL16005108

O=C(O)c1cccc(COc2ccc(-c3cc(F)cc4c3OCC4)cc2)c1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 7/20 0.76
MRGPRX4 Q96LA9 11/20 0.53
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.51
PAX8 Q06710 1/20 0.51
KLF5 Q13887 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 2/20 0.50
PKM P14618 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NR4A2 P43354 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50

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
SCHEMBL14933712 0.87 GYS1 (1.00) GYS1
SCHEMBL16005038 0.83 GYS1 (0.71) GYS1MRGPRX4RAB9ANPC1POLB
SCHEMBL14933716 0.83 GYS1 (1.00) GYS1
SCHEMBL16004974 0.82 GYS1 (0.71) GYS1MRGPRX4RAB9ANPC1POLB
SCHEMBL16226091 0.81 GYS1 (0.62) GYS1
SCHEMBL16005024 0.77 GYS1 (0.68) GYS1MRGPRX4RAB9ATP53PKM
SCHEMBL1756377 0.76 MRGPRX4 (0.65) MRGPRX4RAB9ATP53PKMNFKB1
SCHEMBL1756338 0.75 MRGPRX4 (0.62) GYS1MRGPRX4RAB9ATP53PKM
SCHEMBL1756369 0.73 MRGPRX4 (0.81) MRGPRX4RAB9ATP53PKMNFKB1
SCHEMBL1756394 0.73 MRGPRX4 (0.69) GYS1MRGPRX4RAB9ATP53PKM

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
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
US-20140336376-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES AJINOMOTO CO., INC. (JP) 2014-11-13 US 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 (2 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 1513/4885RAB9A 2738/4885
US-20160137633-A1 PHARMACEUTICAL COMPOSITION FOR TREATING DIABETES PPARG, GPR119, GYS2 GYS1 5/4885MRGPRX4 1513/4885RAB9A 2738/4885

“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.