SCHEMBL6658728

SCHEMBL6658728

COc1cc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)ccc1S(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 6/20 0.39
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
PKM P14618 1/20 0.39
PDE7A Q13946 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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 0.91 MAPT (0.41) GAAMAPK1HTTNPSR1MEN1
SCHEMBL18998671 0.79 MEN1 (0.51) GAAMAPK1HTTNPSR1MEN1
SCHEMBL3227962 0.78 MAPK1 (0.55) GAAMAPK1HTTNPSR1MEN1
SCHEMBL7042879 0.77 MAPT (0.41) HTTNPSR1MEN1KMT2AL3MBTL1
SCHEMBL4965112 0.77 GAA (0.47) GAAMAPK1HTTNPSR1MEN1
SCHEMBL6273901 0.76 ALDH1A1 (0.41) GAAMAPK1HTTNPSR1MEN1
SCHEMBL5327698 0.76 RORC (0.62) MAPTLMNASMN1; SMN2HPGDPDE7A
SCHEMBL7563764 0.76 NR1H4 (0.49) GAAMAPK1HTTNPSR1MEN1
SCHEMBL4961567 0.76 TLR9 (0.49) GAAMAPK1HTTNPSR1MEN1
SCHEMBL4961573 0.75 PDE7A (0.42) GAAMAPK1HTTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157001-B1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2004-08-04 EP disclosed
US-20030114521-A1 Oxamic acids and derivatives as thyroid receptor ligands CHIANG YUAN-CHING PHOEBE (US) 2003-06-19 US disclosed
US-6545018-B2 Treating obesity, hyperlipidemia, glaucoma, arrhythmia, skin disorders, thyroid disease, hypothyroidism, diabetes mellitus, atherosclerosis, hypertension, coronary heart disease, hypercholesteremia, depression and osteoporosis PFIZER INC. 2003-04-08 US disclosed
US-20020049226-A1 Oxamic acids and derivatives as thyroid receptor ligands CHIANG YUAN-CHING PHOEBE (US) 2002-04-25 US disclosed
US-6326398-B1 Oxamic acids and derivatives as thyroid receptor ligands PFIZER INC. 2001-12-04 US disclosed
EP-1157001-A1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2001-11-28 EP disclosed
WO-2000051971-A1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2000-09-08 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-20030114521-A1 Oxamic acids and derivatives as thyroid receptor ligands OXER1, THRA, TSHR GAA 1279/4885MAPK1 766/4885HTT 1784/4885
US-20020049226-A1 Oxamic acids and derivatives as thyroid receptor ligands OXER1, THRA, OXGR1 GAA 705/4885MAPK1 607/4885HTT 1467/4885

“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.