SCHEMBL4963113

SCHEMBL4963113

COc1ccc(Oc2c(Cl)cc(N)cc2Cl)cc1S(=O)(=O)NC1CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.51
KMT2A Q03164 1/20 0.51
TP53 P04637 2/20 0.50
CASP1 P29466 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
CTSL P07711 2/20 0.47
CTSS P25774 2/20 0.47
CTSK P43235 2/20 0.47
CTSC P53634 2/20 0.47
CTSB P07858 1/20 0.47
BRD4 O60885 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 1/20 0.45
DRD2 P14416 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44

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
SCHEMBL23663150 0.90 L3MBTL1 (0.57) L3MBTL1SMN1; SMN2KMT2ATP53CASP1
SCHEMBL23663155 0.86 SMN1; SMN2 (0.56) L3MBTL1SMN1; SMN2KMT2ATP53CASP1
SCHEMBL4961548 0.85 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2KMT2ATP53CASP1
SCHEMBL7208159 0.84 THRB (0.57) L3MBTL1ALDH1A1BRD4BRD2BRD3
SCHEMBL4964380 0.84 THRB (0.57) L3MBTL1ALDH1A1BRD4BRD2BRD3
SCHEMBL6273662 0.81 SMN1; SMN2 (0.51) L3MBTL1SMN1; SMN2KMT2ATP53CASP1
SCHEMBL23663175 0.81 CTSL (0.48) L3MBTL1SMN1; SMN2KMT2ATP53CASP1
SCHEMBL6269972 0.80 THRB (0.62) L3MBTL1SMN1; SMN2TP53ALDH1A1MCOLN3
SCHEMBL7044445 0.80 L3MBTL1 (0.51) L3MBTL1SMN1; SMN2KMT2ATP53CASP1
SCHEMBL7040382 0.80 THRB (0.53) L3MBTL1SMN1; SMN2KMT2AALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2146686-B1 Hair conditioning composition comprising polyalkylsiloxane mixture, aminosilicone and silicone copolymer emulsion PROCTER & GAMBLE (US) 2013-07-24 EP disclosed
US-20080292574-A1 HAIR CONDITIONING COMPOSITION COMPRISING POLYALKYLSILOXANE MIXTURE, AMINOSILICONE, AND SILICONE COPOLYMER EMULSION THE PROCTER & GAMBLE COMPANY 2008-11-27 US disclosed
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
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
EP-1268404-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS Pfizer Products Inc. (US) 2003-01-02 EP disclosed
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands PFIZER INC. 2001-12-13 US disclosed
WO-2001072692-A1 MALONAMIC ACIDS AND DERIVATIVES THEREOF AS THYROID RECEPTOR LIGANDS PFIZER PRODUCTS INC. (US) 2001-10-04 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 (5 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-20080292574-A1 HAIR CONDITIONING COMPOSITION COMPRISING POLYALKYLSILOXANE MIXTURE, AMINOSILICONE, AND SILICONE COPOLYMER EMULSION ITCH, CUTA, SMURF1 L3MBTL1 4045/4885SMN1; SMN2 3393/4885KMT2A 323/4885
US-20070173548-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR L3MBTL1 1440/4885SMN1; SMN2 4870/4885KMT2A 3859/4885
US-20050209333-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR L3MBTL1 1440/4885SMN1; SMN2 4870/4885KMT2A 3859/4885
US-20040077694-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, TSHR L3MBTL1 1368/4885SMN1; SMN2 4866/4885KMT2A 3893/4885
US-20010051657-A1 Malonamic acids and derivatives thereof as thyroid receptor ligands THRA, MC1R, THRB L3MBTL1 1241/4885SMN1; SMN2 4865/4885KMT2A 3863/4885

“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.