SCHEMBL4965112

SCHEMBL4965112

COc1ccc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
TTR P02766 2/20 0.47
PPOX P50336 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
PKM P14618 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 1/20 0.44
AKR1C3 P42330 2/20 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
SCHEMBL18932878 0.88 NPSR1 (0.54) GAAHTTNPSR1MAPK1KDM4E
SCHEMBL6273742 0.86 KDM4E (0.48) HTTNPSR1KDM4EPOLBMEN1
SCHEMBL6660143 0.84 TDP1 (0.48) HTTMAPK1KDM4EMEN1KMT2A
SCHEMBL17525148 0.83 NPSR1 (0.55) GAAHTTNPSR1MAPK1KDM4E
SCHEMBL23663084 0.83 POLB (0.52) HTTNPSR1KDM4EPOLBMEN1
SCHEMBL29965211 0.83 POLB (0.52) HTTNPSR1KDM4EPOLBMEN1
SCHEMBL177777 0.83 MEN1 (0.57) NPSR1MAPK1KDM4EPOLBMEN1
SCHEMBL18998671 0.82 MEN1 (0.51) GAAHTTNPSR1MAPK1KDM4E
SCHEMBL6273901 0.80 ALDH1A1 (0.41) GAAHTTNPSR1MAPK1POLB
SCHEMBL4962674 0.80 MAPT (0.41) GAAHTTNPSR1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268404-B1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2008-01-02 EP disclosed
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2007-07-26 US disclosed
US-7202275-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands WARNER LAMBERT COMPANY LLC (US) 2007-04-10 US disclosed
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P 2005-09-22 US disclosed
US-6924310-B2 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. (US) 2005-08-02 US disclosed
EP-1157001-B1 OXAMIC ACIDS AND DERIVATIVES AS THYROID RECEPTOR LIGANDS PFIZER PROD INC (US) 2004-08-04 EP disclosed
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands CHIANG YUAN-CHING P (US) 2004-04-22 US disclosed
US-6664291-B2 Aromatic amidealkyl acid or ester or amide or hydroxy derivatives are useful in the treatment of obesity, overweight condition, hyperlipidemia, glucoma, cardiac arrhythmias, thyroid disease, skin disoders and diabetes PFIZER, INC. 2003-12-16 US 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
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20020049226-A1 Oxamic acids and derivatives as thyroid receptor ligands CHIANG YUAN-CHING PHOEBE (US) 2002-04-25 US disclosed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 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-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 WO 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 (6 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 1279/4885HTT 1784/4885NPSR1 287/4885
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR GAA 521/4885HTT 435/4885NPSR1 1968/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR GAA 521/4885HTT 435/4885NPSR1 1968/4885
US-20020049226-A1 Oxamic acids and derivatives as thyroid receptor ligands OXER1, THRA, OXGR1 GAA 705/4885HTT 1467/4885NPSR1 274/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR GAA 559/4885HTT 458/4885NPSR1 1941/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB GAA 649/4885HTT 542/4885NPSR1 1962/4885

“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.