SCHEMBL5144086

SCHEMBL5144086

COc1cccc(OC)c1C(=O)c1cccc(P=S)c1C(=O)c1c(OC)cccc1OC

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CTSD P07339 1/20 0.37
HTT P42858 1/20 0.37
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
KCNB1 Q14721 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
STAT3 P40763 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL346600 0.86 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL11755425 0.78 CA1 (0.71) CA12CA1CA2CA7CA9
Phosphine SCHEMBL22468662 0.78 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL23361672 0.78 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL7865373 0.76 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL4761379 0.75 CYP3A4 (0.41) HTTTP53ABCG2NPC1
SCHEMBL28516342 0.75 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL28210985 0.72 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL28315313 0.70 KMT2A (0.53) CA12CA1CA2CA7CA9
SCHEMBL28861060 0.70 CA12 (0.46) CA12CA1CA2CA7CA9

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
US-7214830-B2 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2007-05-08 US disclosed
US-7094931-B2 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-08-22 US disclosed
EP-1135399-B2 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES CIBA SC HOLDING AG (CH) 2006-08-09 EP disclosed
US-20060128959-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides IGM GROUP B.V. (NL) 2006-06-15 US disclosed
US-6888031-B1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides CIBA SPECIALTY CHEMICALS CORPORATION (US) 2005-05-03 US disclosed
US-20040248855-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides IGM GROUP B.V. (NL) 2004-12-09 US disclosed
EP-1135399-B1 PROCESS FOR PREPARING ACYLPHOSPHINES AND DERIVATIVES CIBA SC HOLDING AG (CH) 2002-08-07 EP 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 (2 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-20060128959-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides AGPS, PHOSPHO1, AGPAT2 CA12 1592/4885CA1 1067/4885CA2 790/4885
US-20040248855-A1 Process for the preparation of acylphosphines, acyl oxides and acyl sulfides AGPS, PHOSPHO1, AGPAT2 CA12 1283/4885CA1 794/4885CA2 598/4885

“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.