SCHEMBL4496720

SCHEMBL4496720

O=C(O)c1cccc(-c2cc(C(F)(F)F)[nH]n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.49
MAP2K4 P45985 2/20 0.49
MAPKAPK3 Q16644 1/20 0.49
MAPK6 Q16659 1/20 0.49
TP53 P04637 3/20 0.49
ALOX15 P16050 2/20 0.49
HSD17B10 Q99714 1/20 0.49
CD74 P04233 1/20 0.49
MIF P14174 1/20 0.49
KMO O15229 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL14412298 0.83 MAPK14 (0.51) MAPK1TP53ALOX15HSD17B10HDAC6
SCHEMBL1595100 0.83 USP30 (0.48) MAPK1TP53ALOX15HSD17B10SMN1; SMN2
SCHEMBL239535 0.81 MAPK1 (0.62) MAPK1TP53ALOX15HSD17B10SMN1; SMN2
SCHEMBL26477869 0.80 RAF1 (0.55) MAPK1MAP2K4MAPKAPK3MAPK6TP53
SCHEMBL1595007 0.79 HPGD (0.57) MAPK1SMN1; SMN2MEN1POLBHPGD
SCHEMBL14197646 0.77 L3MBTL1 (0.64) MAPK1MAP2K4MAPKAPK3MAPK6TP53
SCHEMBL27851623 0.76 MAP2K4 (0.51) MAPK1MAP2K4MAPKAPK3MAPK6TP53
SCHEMBL17336859 0.75 RAB9A (0.62) MAPK1MAP2K4MAPKAPK3MAPK6TP53
SCHEMBL13672574 0.75 MEN1 (0.47) MAPK1TP53ALOX15HSD17B10SMN1; SMN2
SCHEMBL1505323 0.74 MAP2K4 (0.55) MAPK1MAP2K4MAPKAPK3MAPK6TP53

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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors CORBETT JEFFREY WAYNE 2009-10-29 US disclosed
CN-101541809-A Spiroketone acetyl-CoA carboxylase inhibitors PFIZER PROD INC (US) 2009-09-23 CN disclosed
EP-2097420-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS Pfizer Products Inc. (US) 2009-09-09 EP disclosed
WO-2008065508-A1 SPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS PFIZER PRODUCTS INC. (US) 2008-06-05 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-20090270435-A1 Spiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB MAPK1 1428/4885MAP2K4 2337/4885MAPKAPK3 984/4885

“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.