SCHEMBL16319368

SCHEMBL16319368

COc1ccc(F)c(-c2cnc(CO)cc2OCC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.39
DHODH Q02127 1/20 0.36
KDM1A O60341 1/20 0.36
IDH2 P48735 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP7 Q93009 1/20 0.35
GRK6 P43250 1/20 0.34
POLQ O75417 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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 0.79 FFAR1 (0.45) FFAR1KDM1AIDH2NPC1RAB9A
SCHEMBL16319017 0.78 FFAR1 (0.42) FFAR1KDM1AIDH2NPC1RAB9A
SCHEMBL16319387 0.78 FFAR1 (0.42) FFAR1KDM1AIDH2
SCHEMBL16319385 0.75 FFAR1 (0.42) FFAR1DHODHIDH2NPC1RAB9A
SCHEMBL16319324 0.73 FFAR1 (0.66) FFAR1
SCHEMBL16318637 0.73 FFAR1 (0.75) FFAR1
SCHEMBL25261096 0.72 FFAR1 (0.41) FFAR1ALDH1A1MAPT
SCHEMBL16319427 0.71 FFAR1 (0.44) FFAR1DHODHIDH2
SCHEMBL17418933 0.71 FFAR1 (0.56) FFAR1
SCHEMBL16319380 0.70 FFAR1 (0.40) FFAR1DHODHKDM1AIDH2NPC1

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 31/4885DHODH 3343/4885KDM1A 1832/4885

“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.