SCHEMBL10067773

SCHEMBL10067773

COCCOCCOCCOCCOCCOCCOCCOCCOP(C)(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SAT1 P21673 1/20 0.41
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CA2 P00918 3/20 0.35
ALDH1A1 P00352 2/20 0.32
LPAR3 Q9UBY5 3/20 0.31
LPAR1 Q92633 2/20 0.31
LPAR2 Q9HBW0 2/20 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
SCHEMBL19442862 1.00 SAT1 (0.41) SAT1CYP3A4TSHRCA2ALDH1A1
SCHEMBL20972798 1.00 SAT1 (0.41) SAT1CYP3A4TSHRCA2ALDH1A1
SCHEMBL10067771 1.00 SAT1 (0.41) SAT1CYP3A4TSHRCA2ALDH1A1
SCHEMBL10067774 0.94 SAT1 (0.38) SAT1CYP3A4TSHRCA2
SCHEMBL10067767 0.94 SAT1 (0.38) SAT1CYP3A4TSHRCA2
SCHEMBL12192204 0.93
SCHEMBL16815000 0.93 SAT1 (0.45) SAT1CYP3A4TSHRCA2ALDH1A1
SCHEMBL16815001 0.93 SAT1 (0.45) SAT1CYP3A4TSHRCA2ALDH1A1
SCHEMBL16814867 0.93 SAT1 (0.45) SAT1CYP3A4TSHRCA2ALDH1A1
SCHEMBL16815008 0.93 SAT1 (0.45) SAT1CYP3A4TSHRCA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150004097-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS IKARIA THERAPEUTICS LLC 2015-01-01 US disclosed
US-8871189-B2 MMP-targeted therapeutic and/or diagnostic nanocarriers MALLINCKRODT LLC (US) 2014-10-28 US disclosed
US-20130183236-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS MALLINCKRODT INC. (US) 2013-07-18 US disclosed
US-20120082616-A1 Aptamer Conjugates for Targeting of Therapeutic and/or Diagnostic Nanocarriers MALLINCKRODT LLC (US) 2012-04-05 US 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-20130183236-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS MMP3, MMP9, MMP17 SAT1 4304/4885CYP3A4 3450/4885TSHR 3349/4885
US-20150004097-A1 MMP-TARGETED THERAPEUTIC AND/OR DIAGNOSTIC NANOCARRIERS MMP3, MMP9, MMP17 SAT1 4304/4885CYP3A4 3450/4885TSHR 3349/4885
US-20120082616-A1 Aptamer Conjugates for Targeting of Therapeutic and/or Diagnostic Nanocarriers EPHA2, ANXA6, SLC10A1 SAT1 3514/4885CYP3A4 4339/4885TSHR 437/4885

“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.