SCHEMBL1704595

SCHEMBL1704595

CCOC(=O)c1nc(Cl)c(C)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
CYP1A2 P05177 4/20 0.42
FHIT P49789 1/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 4/20 0.42
GAA P10253 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPM8 Q7Z2W7 2/20 0.41
KDM4E B2RXH2 4/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL3662167 0.86 ALDH1A1 (0.42) ALDH1A1CYP1A2FHITHPGDMAPT
SCHEMBL1503950 0.81 ALDH1A1 (0.45) ALDH1A1CYP1A2FHITHPGDMAPT
SCHEMBL12035806 0.81 ALDH1A1 (0.42) ALDH1A1CYP1A2FHITHPGDMAPT
SCHEMBL1504558 0.80 ALDH1A1 (0.42) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL15149783 0.80 TRPM8 (0.44) ALDH1A1CYP1A2FHITHPGDMAPT
SCHEMBL28711498 0.79 PTGS2 (0.43) ALDH1A1CYP1A2FHITHPGDMAPT
SCHEMBL23291972 0.77 ALDH1A1 (0.47) ALDH1A1CYP1A2FHITHPGDMAPT
SCHEMBL27870394 0.75 ALDH1A1 (0.44) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL1503828 0.75 HPGD (0.37) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL23708646 0.74 ALDH1A1 (0.49) ALDH1A1CYP1A2HPGDMAPTGAA

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 12 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
US-8580831-B2 Fluorinated aminotriazole derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2013-11-12 US disclosed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2012-04-26 US disclosed
EP-2440536-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
EP-2440555-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2012-04-18 EP disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
WO-2010143116-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO disclosed
WO-2010143158-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-12-16 WO disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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 (3 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R ALDH1A1 358/4885CYP1A2 80/4885FHIT 3430/4885
US-20120115916-A1 OXAZOLE AND THIAZOLE DERIVATIVES AS ALX RECEPTOR AGONISTS P2RX1, GLP1R, P2RX7 ALDH1A1 493/4885CYP1A2 413/4885FHIT 4861/4885
US-20120101138-A1 FLUORINATED AMINOTRIAZOLE DERIVATIVES AFF1, SULT2A1, NAT1 ALDH1A1 235/4885CYP1A2 12/4885FHIT 626/4885

“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.