SCHEMBL907558

SCHEMBL907558

CC(O)(CCO)c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.40
PARP1 P09874 2/20 0.40
TNKS2 Q9H2K2 2/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HSD11B1 P28845 1/20 0.40
RAB9A P51151 2/20 0.39
USP2 O75604 1/20 0.39
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 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
SCHEMBL12712581 1.00 TNKS (0.40) TNKSPARP1TNKS2SLC6A4SLC6A3
SCHEMBL11690543 0.94 TNKS (0.43) TNKSPARP1TNKS2SLC6A4SLC6A3
SCHEMBL11507049 0.89 SLC6A4 (0.38) TNKSPARP1TNKS2SLC6A4SLC6A3
SCHEMBL1350898 0.83 TNKS (0.40) TNKSPARP1TNKS2HTTLMNA
SCHEMBL6491495 0.83 RAB9A (0.42) TNKSPARP1TNKS2SLC6A4SLC6A3
SCHEMBL11543844 0.82 APP (0.43) TNKSPARP1TNKS2HSD11B1USP2
SCHEMBL5777587 0.81 SMN1; SMN2 (0.39) HSD11B1RAB9AUSP2CYP3A4HTT
SCHEMBL11493860 0.81 ESR1 (0.50) TNKSPARP1TNKS2SLC6A4SLC6A3
SCHEMBL31305572 0.81 TSHR (0.46) TNKSPARP1TNKS2RAB9AKMT2A
SCHEMBL11510113 0.79 TNKS (0.40) TNKSPARP1TNKS2CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288569-B2 Carbonyl asymmetric alkylation SANDOZ AG (CH) 2012-10-16 US disclosed
EP-1966127-B1 CARBONYL ASYMMETRIC ALKYLATION SANDOZ AG (CH) 2011-04-06 EP disclosed
US-20110009648-A1 Carbonyl Asymmetric Alkylation SANDOZ AG (CH) 2011-01-13 US disclosed
EP-1966127-A1 CARBONYL ASYMMETRIC ALKYLATION Sandoz AG (CH) 2008-09-10 EP disclosed
WO-2007082771-A1 CARBONYL ASYMMETRIC ALKYLATION SANDOZ AG (CH) 2007-07-26 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-20110009648-A1 Carbonyl Asymmetric Alkylation COASY, ADH5, SI TNKS 2120/4885PARP1 1033/4885TNKS2 2345/4885

“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.