SCHEMBL4389873

SCHEMBL4389873

COc1ccc(S(N)(=O)=O)c(CC2CCC(CNC(=O)NCc3ccccc3Cl)CC2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.49
ALPL P05186 2/20 0.49
ALPI P09923 2/20 0.49
ALPG P10696 2/20 0.49
THRB P10828 3/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
P2RX4 Q99571 3/20 0.41
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.40
ATM Q13315 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL4398270 0.79 NPC1 (0.45) TP53ALPLALPIALPGTHRB
SCHEMBL4008992 0.75 MAPK1 (0.64) TP53ALPLALPIALPGTHRB
SCHEMBL4009437 0.68 THRB (0.68) TP53THRBPOLBKMT2AMEN1
SCHEMBL4007674 0.66 NPC1 (0.56) TP53THRBPOLBKMT2AMEN1
SCHEMBL4008819 0.65 NPC1 (0.55) TP53THRBKMT2AMEN1NPC1
SCHEMBL4008429 0.65 LMNA (0.52) TP53POLBKMT2AMEN1NPC1
SCHEMBL4003492 0.64 THRB (0.64) TP53THRBPOLBKMT2AMEN1
SCHEMBL30858769 0.64 NPC1 (1.00) POLBKMT2AMEN1NPC1RAB9A
SCHEMBL28644948 0.64 MAPT (0.53) TP53ALPLALPIALPGPOLB
SCHEMBL30222079 0.64 MAPT (0.53) TP53ALPLALPIALPGPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 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 (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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 TP53 4280/4885ALPL 1301/4885ALPI 1037/4885

“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.