SCHEMBL989199

SCHEMBL989199

CNCc1ccc(OCC(=O)OC(C)(C)C)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 3/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL988587 0.84 NPC1 (0.46) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL2774397 0.82 PKM (0.57) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL2037435 0.81 CYP1A2 (0.43) KMT2ACYP1A2CYP2D6CYP2C19ALDH1A1
SCHEMBL12145826 0.80 SMN1; SMN2 (0.55) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL989912 0.79 CYP19A1 (0.46) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL12145811 0.79 GAA (0.58) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL4576504 0.79 PKM (0.64) KMT2AMEN1CYP1A2CYP2C19ALDH1A1
SCHEMBL12145823 0.78 AR (0.45) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1
SCHEMBL2043513 0.77 CYP2D6 (0.43) KMT2AMEN1CYP1A2CYP2D6CYP2C19
SCHEMBL988409 0.76 POLB (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-8822467-B2 Biaryl oxyacetic acid compounds LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-09-02 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
US-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2013-04-25 US disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2011002814-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2011-01-06 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 WO disclosed
WO-2010102154-A2 BIARYL OXYACETIC ACID COMPOUNDS LIGAND PHARMACEUTICALS INCORPORATED (US) 2010-09-10 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-20130102609-A1 BIARYL OXYACETIC ACID COMPOUNDS HSD17B12, CYP2A13, CYP27A1 KMT2A 3011/4885MEN1 4820/4885CYP1A2 17/4885

“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.