SCHEMBL6662021

SCHEMBL6662021

O=[N+]([O-])c1cc(Cl)c(Oc2ccc(O)c(S(=O)(=O)N3CCCC3)c2)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 7/20 0.57
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HPGD P15428 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
VCAM1 P19320 1/20 0.43
FAAH O00519 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL6660363 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL6660358 0.84 THRB (0.61) THRBALDH1A1SMN1; SMN2KMT2AL3MBTL1
SCHEMBL7037496 0.81 THRB (0.58) THRBALDH1A1KMT2AL3MBTL1
SCHEMBL6268456 0.81 NR1H4 (0.45) THRBALDH1A1KMT2AMEN1MAPT
SCHEMBL4965793 0.80 NR1H4 (0.43) THRBSMN1; SMN2LMNA
SCHEMBL6273747 0.79 THRB (0.59) THRBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4962461 0.78 THRB (0.52) THRBALDH1A1KMT2AMEN1MAPT
SCHEMBL1473871 0.78 ALDH1A1 (0.72) THRBALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL13044591 0.78 THRB (0.57) THRBALDH1A1KMT2A
SCHEMBL6658552 0.78 THRB (0.55) THRB

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 THRB 4/4885ALDH1A1 457/4885SMN1; SMN2 4441/4885
US-20020049226-A1 Oxamic acids and derivatives as thyroid receptor ligands OXER1, THRA, OXGR1 THRB 4/4885ALDH1A1 553/4885SMN1; SMN2 4406/4885

“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.