SCHEMBL2912575

SCHEMBL2912575

NC(=O)CCc1cccc(OCc2ccccc2)c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 6/20 0.66
▸ CYP4F2 P78329 1/20 0.65
▸ CYP4A11 Q02928 1/20 0.65
▸ SPHK2 Q9NRA0 2/20 0.59
▸ SPHK1 Q9NYA1 1/20 0.59
▸ NR4A2 P43354 1/20 0.59
▸ MAOB P27338 2/20 0.56
▸ FFAR4 Q5NUL3 2/20 0.56
▸ CYP2D6 P10635 1/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ TSHR P16473 1/20 0.54
▸ SMPD1 P17405 1/20 0.54
▸ KMT2A Q03164 1/20 0.53
▸ LTB4R Q15722 1/20 0.53
▸ LTB4R2 Q9NPC1 1/20 0.53
▸ PARP10 Q53GL7 1/20 0.53
▸ BCHE P06276 1/20 0.53

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
SCHEMBL2772855 0.88 FFAR1 (0.83) FFAR1CYP4F2CYP4A11NR4A2FFAR4
SCHEMBL7998538 0.88 FFAR1 (0.69) FFAR1CYP4F2CYP4A11NR4A2MAOB
SCHEMBL11400956 0.87 FFAR1 (0.64) FFAR1CYP4F2CYP4A11FFAR4
SCHEMBL2036020 0.86 FFAR1 (0.76) FFAR1FFAR4PARP10
SCHEMBL3660617 0.85 FFAR1 (0.66) FFAR1CYP4F2CYP4A11NR4A2MAOB
SCHEMBL12618315 0.85 FFAR1 (0.66) FFAR1CYP4F2CYP4A11NR4A2MAOB
SCHEMBL2848980 0.84 NR4A2 (0.62) FFAR1CYP4F2CYP4A11SPHK2SPHK1
SCHEMBL2170636 0.84 FFAR1 (0.77) FFAR1NR4A2FFAR4PARP10
SCHEMBL2908859 0.84 FFAR1 (0.64) FFAR1CYP4F2CYP4A11NR4A2MAOB
SCHEMBL10683288 0.82 FFAR1 (0.63) FFAR1CYP4F2CYP4A11NR4A2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 — — US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 — — US disclosed
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 — — US disclosed
EP-2220077-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES Glaxo Group Limited (GB) 2010-08-25 — — EP disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 — — WO disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 — — 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L FFAR1 1971/4885CYP4F2 664/4885CYP4A11 155/4885

“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.

Send feedback