SCHEMBL16319017

SCHEMBL16319017

COc1ccc(F)c(-c2cnc(CO)nc2OCC(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.42
DHFR P00374 1/20 0.38
IDH2 P48735 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SGK1 O00141 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GRK6 P43250 1/20 0.36
KDM1A O60341 1/20 0.35
USP7 Q93009 1/20 0.34
POLQ O75417 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ABCB11 O95342 1/20 0.33

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
SCHEMBL16319342 0.83 FFAR1 (0.45) FFAR1IDH2NPC1RAB9ASGK1
SCHEMBL16319380 0.81 FFAR1 (0.40) FFAR1IDH2NPC1RAB9AMEN1
SCHEMBL16318882 0.79 FFAR1 (0.43) FFAR1NPC1RAB9ASGK1GRK6
SCHEMBL16319368 0.78 FFAR1 (0.39) FFAR1IDH2NPC1RAB9AGRK6
SCHEMBL16319023 0.76 FFAR1 (0.45) FFAR1IDH2NPC1RAB9ASGK1
SCHEMBL16318846 0.76 FFAR1 (0.43) FFAR1IDH2SGK1GRK6POLQ
SCHEMBL16319385 0.74 FFAR1 (0.42) FFAR1IDH2NPC1RAB9AMEN1
SCHEMBL16319387 0.73 FFAR1 (0.42) FFAR1IDH2KDM1ACYP11B1CYP11B2
SCHEMBL16319382 0.69 CASP3 (0.42) FFAR1NPC1RAB9AMEN1KMT2A
SCHEMBL17418933 0.68 FFAR1 (0.56) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181186-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-11-10 US disclosed
US-20150045378-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-12 US disclosed
EP-2816032-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-12-24 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 (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-20150045378-A1 AROMATIC RING COMPOUND GPR119, GPR27, GPR4 FFAR1 31/4885DHFR 4308/4885IDH2 4057/4885

“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.