SCHEMBL1706362

SCHEMBL1706362

CC(=O)c1ncc(CC(=O)O)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.37
AGBL2 Q5U5Z8 2/20 0.35
THRB P10828 2/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CDK5 Q00535 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL17682276 0.80 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TSHRKMT2ACCNE1
SCHEMBL12714304 0.80 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TSHRMAPTHCAR2
SCHEMBL17065253 0.80 SMYD3 (0.44) SMN1; SMN2ALDH1A1TSHRCCNE1CDK2
SCHEMBL27719736 0.80 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRAGBL2THRB
SCHEMBL14402594 0.78 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1TSHRKMT2AMAPT
SCHEMBL1279903 0.78 HCAR2 (0.52) SMN1; SMN2ALDH1A1TSHRAGBL2HPGD
SCHEMBL9478749 0.76 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TSHRAGBL2HPGD
SCHEMBL10431342 0.74 HPGD (0.40) SMN1; SMN2ALDH1A1TSHRAGBL2HPGD
SCHEMBL9479926 0.74 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1TSHRAGBL2HPGD
SCHEMBL3255716 0.74 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1TSHRTHRBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102803237-B Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2014-09-24 CN disclosed
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
CN-102803237-A Oxazole and thiazole derivatives as alx receptor agonists ACTELION PHARMACEUTICALS LTD 2012-11-28 CN 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 3814/4885ALDH1A1 493/4885TSHR 42/4885

“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.