SCHEMBL7042879

SCHEMBL7042879

COc1ccc(Oc2c(C)cc([N+](=O)[O-])cc2C)cc1S(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LMNA P02545 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MITF O75030 1/20 0.38
CCR6 P51684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TLR9 Q9NR96 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL4962674 0.87 MAPT (0.41) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL14451782 0.85 TLR9 (0.46) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL6664059 0.82 TUBB4A (0.51) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL4963121 0.81 ALDH1A1 (0.44) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL6273742 0.79 KDM4E (0.48) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL7530267 0.78 HTT (0.42) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL4965062 0.78 THRB (0.48) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL6268698 0.78 TLR9 (0.50) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL11340689 0.77 TDP1 (0.55) MAPTHTTALDH1A1TDP1MEN1
SCHEMBL6658728 0.77 GAA (0.41) MAPTHTTALDH1A1MEN1KMT2A

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-20030040535-A1 Tetrazole compounds as thyroid receptor ligands ASPNES GARY E (US) 2003-02-27 US disclosed
US-6441015-B2 OBESITY, ANTIDIABETIC AGENTS, CARDIOVASCULAR DISORDERS PFIZER INC. 2002-08-27 US disclosed
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands PFIZER INC. 2002-01-17 US disclosed
EP-1127882-A1 Tetrazole compounds as thyroid receptor ligands Pfizer Products Inc. (US) 2001-08-29 EP 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-20030040535-A1 Tetrazole compounds as thyroid receptor ligands THRA, TSHR, THRB MAPT 2844/4885HTT 1437/4885ALDH1A1 835/4885
US-20020006946-A1 Tetrazole compounds as thyroid receptor ligands TSHR, THRA, THRB MAPT 2671/4885HTT 1156/4885ALDH1A1 1187/4885

“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.