SCHEMBL7168573

SCHEMBL7168573

COC(=O)c1cccc(CC(=O)c2ccc(F)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.57
MRGPRX4 Q96LA9 2/20 0.56
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
SLC7A5 Q01650 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
NPC1 O15118 3/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HIF1A Q16665 1/20 0.48
FOLH1 Q04609 1/20 0.47
CNR2 P34972 1/20 0.47
CCR1 P32246 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL10420734 0.87 LOXL2 (0.59) LOXL2MRGPRX4CYP4F2CYP4A11SLC7A5
SCHEMBL7160001 0.83 MEN1 (0.68) LOXL2CYP4F2CYP4A11MEN1KMT2A
SCHEMBL2515139 0.82 LOXL2 (0.60) LOXL2MRGPRX4CYP4F2CYP4A11SLC7A5
SCHEMBL1515890 0.81 NPC1 (0.54) MEN1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL15755382 0.79 HIF1A (0.70) LOXL2MRGPRX4CYP4F2CYP4A11MEN1
SCHEMBL1492405 0.79 LOXL2 (0.68) LOXL2MRGPRX4CYP4F2CYP4A11SLC7A5
SCHEMBL2964543 0.79 LOXL2 (0.68) LOXL2MRGPRX4CYP4F2CYP4A11SLC7A5
SCHEMBL3625604 0.79 LOXL2 (0.68) LOXL2MRGPRX4CYP4F2CYP4A11SLC7A5
SCHEMBL21087639 0.78 LMNA (0.44) MEN1KMT2ASMN1; SMN2RAB9AMAPT
SCHEMBL31253908 0.78 NPC1 (0.57) LOXL2MRGPRX4CYP4F2CYP4A11SLC7A5

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-6583126-B2 Treating diabetes, obesity, and diabetes-related diseases. MERCK EROSST CANADA & CO. 2003-06-24 US disclosed
EP-1242432-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-09-25 EP disclosed
US-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) MERCK FROSST CANADA LTD. (CA) 2002-05-02 US disclosed
WO-2001046205-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 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-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) PTPRO, PTPRC, PPM1B LOXL2 1486/4885MRGPRX4 3930/4885CYP4F2 2566/4885

“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.