SCHEMBL2946249

SCHEMBL2946249

CCCCOc1ccc(C(CC(=O)O)c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
FFAR1 O14842 3/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL13236829 0.87 POLB (0.50) MMP9MMP8MMP13POLBSMN1; SMN2
SCHEMBL2948038 0.86 FFAR1 (0.57) MMP9MMP8MMP13FFAR1POLB
SCHEMBL9474072 0.86 MMP9 (0.70) MMP9MMP8MMP13FFAR1POLB
SCHEMBL2948148 0.84 FFAR1 (0.68) MMP9MMP8MMP13FFAR1POLB
SCHEMBL2941508 0.82 MMP9 (0.65) MMP9MMP8MMP13FFAR1POLB
SCHEMBL2939695 0.81 MMP9 (0.67) MMP9MMP8MMP13FFAR1POLB
SCHEMBL2949131 0.81 MMP9 (0.67) MMP9MMP8MMP13FFAR1POLB
SCHEMBL2056145 0.81 LTA4H (0.52) L3MBTL1HDAC3HDAC1HDAC2TSHR
SCHEMBL2947157 0.80 FAAH (0.57) MMP9MMP8MMP13FFAR1SMN1; SMN2
SCHEMBL2947981 0.79 SMN1; SMN2 (0.74) MMP9MMP8MMP13FFAR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US claimed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US claimed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-7750048-B2 GPR40 agonists JANSSEN PHARMACEUTICA NV (BE) 2010-07-06 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US disclosed
US-20080176912-A1 GPR40 AGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-24 US 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-20080176912-A1 GPR40 AGONISTS GPR119, GPR65, GPR55 MMP9 4828/4885MMP8 4442/4885MMP13 4524/4885

“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.