SCHEMBL1338487

SCHEMBL1338487

NC(=NO)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.53
▸ KEAP1 Q14145 1/20 0.52
▸ HDAC1 Q13547 4/20 0.50
▸ HDAC2 Q92769 4/20 0.50
▸ ITGB3 P05106 1/20 0.50
▸ ITGA2B P08514 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ SRD5A2 P31213 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL1338484 1.00 FFAR1 (0.53) FFAR1KEAP1HDAC1HDAC2ITGB3
SCHEMBL1338492 0.90 HSD17B10 (0.60) FFAR1HDAC1HDAC2ITGB3ITGA2B
SCHEMBL1338491 0.90 HSD17B10 (0.60) FFAR1HDAC1HDAC2ITGB3ITGA2B
SCHEMBL3462585 0.81 CA2 (0.50) FFAR1HDAC1HDAC2ITGB3ITGA2B
SCHEMBL21223499 0.81 CA2 (0.50) FFAR1HDAC1HDAC2ITGB3ITGA2B
SCHEMBL3462583 0.81 CA2 (0.50) FFAR1HDAC1HDAC2ITGB3ITGA2B
SCHEMBL5012121 0.81 FFAR1 (0.61) FFAR1KEAP1ITGB3ITGA2BCA1
SCHEMBL12129720 0.80 L3MBTL1 (0.52) HDAC1HDAC2L3MBTL1KDM4EALDH1A1
SCHEMBL28591830 0.78 HDAC2 (0.64) HDAC1HDAC2CA1CA2
SCHEMBL69746 0.78 FFAR1 (0.81) FFAR1KEAP1HDAC1HDAC2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 — — EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 — — US disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 — — EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 — — 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-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 FFAR1 27/4885KEAP1 3358/4885HDAC1 1111/4885

“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.

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