SCHEMBL1706000

SCHEMBL1706000

CC(=O)c1cc(CC(=O)O)on1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
VHL P40337 1/20 0.40
MAPT P10636 2/20 0.39
RAB9A P51151 7/20 0.38
NPC1 O15118 6/20 0.38
MAPK1 P28482 2/20 0.38
POLB P06746 2/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARA Q07869 1/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL2328124 0.82 NOTUM (0.43) SMN1; SMN2VHLMAPTRAB9ANPC1
SCHEMBL18819583 0.80 SMN1; SMN2 (0.40) SMN1; SMN2VHLMAPTRAB9ANPC1
SCHEMBL1703668 0.80 ALDH1A1 (0.44) SMN1; SMN2VHLMAPTRAB9ANPC1
SCHEMBL6251 0.80 VHL (0.60) SMN1; SMN2VHLMAPTPOLBMEN1
SCHEMBL10520054 0.78 RAB9A (0.46) SMN1; SMN2MAPTRAB9ANPC1MAPK1
Hydrochloric Acid SCHEMBL1375734 0.78 VHL (0.58) SMN1; SMN2VHLMAPTPOLBMEN1
SCHEMBL4033216 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MAPTRAB9ANPC1MAPK1
SCHEMBL1809792 0.78 ALDH1A1 (0.42) SMN1; SMN2VHLMAPTRAB9ANPC1
SCHEMBL18527352 0.78 CYP2C9 (0.38) SMN1; SMN2VHLMAPTMAPK1
SCHEMBL7423467 0.78 VHL (0.38) SMN1; SMN2VHLMAPTPOLBHPGD

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
US-8674111-B2 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-18 US disclosed
EP-2440536-B1 Oxazole and thiazole derivatives as ALX receptor agonists ACTELION PHARMACEUTICALS LTD (CH) 2013-11-06 EP disclosed
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
WO-2010143158-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 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-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX1, GLP1R, P2RX7 SMN1; SMN2 3814/4885VHL 3912/4885MAPT 3232/4885

“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.