SCHEMBL6155001

SCHEMBL6155001

O=C(c1cccc(C2OCCO2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.55
CES2 O00748 1/20 0.51
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
CNR1 P21554 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
VNN1 O95497 5/20 0.45
CTNNB1 P35222 1/20 0.45
WNT3A P56704 1/20 0.45
CNR2 P34972 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
RBP4 P02753 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
ADORA1 P30542 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL5423204 0.87 PARP1 (0.49) HPGDALDH1A1MAPT
SCHEMBL10750136 0.83 HTR1A (0.56) LMNA
SCHEMBL2539492 0.82 ATM (0.55) LMNAHPGDALDH1A1CYP3A4MAPT
SCHEMBL1237189 0.80 SRD5A2 (0.79) SRD5A2CES2LMNAPOLBHPGD
SCHEMBL8803412 0.80 ACHE (0.50) CES2LMNAALDH1A1MAPT
SCHEMBL16148289 0.77 CES1 (0.40) SRD5A2CES2LMNAPOLBHPGD
SCHEMBL2282510 0.76 KMO (0.56) LMNAHPGDMEN1KMT2AALDH1A1
SCHEMBL1044812 0.75 SRD5A2 (0.83) SRD5A2CES2LMNACNR1VNN1
SCHEMBL4954787 0.75 GRIN2B (0.46) CES2LMNA
SCHEMBL18002440 0.74 KIF11 (0.49) LMNAALDH1A1MAPT

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP SRD5A2 3554/4885CES2 1903/4885LMNA 4884/4885

“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.