SCHEMBL1705397

SCHEMBL1705397

CC1(C)OCC([C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OC(=O)CCCC(=O)O)O1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.54
CA2 P00918 5/20 0.54
CA9 Q16790 2/20 0.54
TBXA2R P21731 1/20 0.33
CA12 O43570 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2671393 1.00 CA1 (0.54) CA1CA2CA9TBXA2RCA12
SCHEMBL1705396 0.95 CA2 (0.58) CA1CA2CA9CA12CA4
SCHEMBL2672029 0.93 CA2 (0.56) CA1CA2CA9CA12CA4
SCHEMBL2672026 0.93 CA2 (0.56) CA1CA2CA9CA12CA4
SCHEMBL2672023 0.91 CA2 (0.60) CA1CA2CA9CA12CA4
SCHEMBL10204186 0.87 CA2 (0.57) CA1CA2CA9CA12CA4
SCHEMBL22162616 0.86 CA2 (0.56) CA1CA2CA9CA12CA4
SCHEMBL10204170 0.85 CA2 (0.59) CA1CA2CA9CA12CA4
SCHEMBL11520537 0.84 CA2 (0.58) CA1CA2CA9CA12CA4
SCHEMBL14627564 0.83 CA1 (0.53) CA1CA2CA9TBXA2RCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108501-A1 Protease Inhibitors NEKTAR THERAPEUTICS (US) 2012-05-03 US disclosed
EP-2440249-A2 COVALENT CONJUGATES COMPRISING A PROTEASE INHIBITOR, A WATER-SOLUBLE, NON-PEPTIDIC OLIGOMER AND A LIPOPHILIC MOIETY Nektar Therapeutics (US) 2012-04-18 EP disclosed
WO-2010144869-A2 PROTEASE INHIBITORS NEKTAR THERAPEUTICS (US) 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-20120108501-A1 Protease Inhibitors DNPEP, ADAM17, PREP CA1 1106/4885CA2 2148/4885CA9 1763/4885

“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.