SCHEMBL8337601

SCHEMBL8337601

O=C(O)CCc1ccc(-c2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.67
FFAR1 O14842 7/20 0.65
MME P08473 1/20 0.63
MAOB P27338 1/20 0.62
FFAR4 Q5NUL3 5/20 0.62
RXRA P19793 3/20 0.58
RXRB P28702 3/20 0.58
RXRG P48443 3/20 0.58
S1PR5 Q9H228 1/20 0.56
SYK P43405 1/20 0.54
BACE1 P56817 1/20 0.53
CTSK P43235 1/20 0.53
KIF11 P52732 1/20 0.52
AKR1B1 P15121 1/20 0.52
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52

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
SCHEMBL5691972 0.85 RXRA (0.74) SLC13A5MMEMAOBRXRARXRB
SCHEMBL12646504 0.83 MAOB (0.57) SLC13A5FFAR1MMEMAOBFFAR4
SCHEMBL365336 0.83 FFAR1 (0.70) FFAR1FFAR4S1PR5THRATHRB
Hydrochloric Acid SCHEMBL30765594 0.81 FFAR1 (0.68) FFAR1FFAR4S1PR5THRATHRB
SCHEMBL1744998 0.80 FFAR1 (0.78) FFAR1FFAR4AKR1B1
SCHEMBL1550659 0.79 FFAR1 (1.00) FFAR1FFAR4
SCHEMBL117230 0.79 FFAR1 (0.73) FFAR1FFAR4
SCHEMBL8618654 0.79 FFAR1 (1.00) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL1211561 0.79 FFAR1 (1.00) FFAR1FFAR4RXRARXRBRXRG
SCHEMBL2873036 0.78 MME (1.00) MME

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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 US disclosed
WO-2010012650-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET (DK) 2010-02-04 WO disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 WO 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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 SLC13A5 1348/4885FFAR1 6/4885MME 3446/4885

“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.