SCHEMBL4100211

SCHEMBL4100211

Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(CC3SC(=O)N(P(=O)(O)O)C3=O)cc1)O2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
PPARG P37231 2/20 0.46
ALOX5 P09917 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP4F2 P78329 1/20 0.35
LMNA P02545 2/20 0.35
GSTP1 P09211 1/20 0.35
TTPA P49638 1/20 0.35
USP2 O75604 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL10281136 0.89 MAPT (0.59) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL9632803 0.87 MAPT (0.57) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL11925102 0.86 MAPT (0.57) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL9632239 0.85 MEN1 (0.55) MAPTMEN1KMT2ATDP1PPARG
Troglitazone SCHEMBL5672808 0.82 MEN1 (0.64) MAPTMEN1KMT2ATDP1PPARG
Troglitazone SCHEMBL21630 0.82 MEN1 (0.64) MAPTMEN1KMT2ATDP1PPARG
Troglitazone SCHEMBL15888838 0.82 MEN1 (0.64) MAPTMEN1KMT2ATDP1PPARG
Troglitazone SCHEMBL1536757 0.82 MEN1 (0.64) MAPTMEN1KMT2ATDP1PPARG
Troglitazone SCHEMBL29349864 0.82 MEN1 (0.64) MAPTMEN1KMT2ATDP1PPARG
Troglitazone SCHEMBL5672813 0.82 MEN1 (0.64) MAPTMEN1KMT2ATDP1PPARG

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-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 US disclosed
US-20050227947-A1 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. 2005-10-13 US disclosed
WO-2004096237-A2 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES GILEAD SCIENCES, INC. (US) 2004-11-11 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 (2 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-20050227947-A1 Phosphonate analogs for treating metabolic diseases PHOSPHO1, G6PC1, PC MAPT 1774/4885MEN1 836/4885KMT2A 2465/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC MAPT 1774/4885MEN1 836/4885KMT2A 2465/4885

“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.