SCHEMBL4067862

SCHEMBL4067862

CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
MEN1 O00255 3/20 0.69
LMNA P02545 4/20 0.68
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 1/20 0.65
RECQL P46063 1/20 0.65
CYP3A4 P08684 2/20 0.63
TSHR P16473 1/20 0.63
HPGD P15428 2/20 0.62
GRM4 Q14833 1/20 0.62
CYP1A2 P05177 1/20 0.61
GAA P10253 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
GFER P55789 1/20 0.61

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
SCHEMBL4067788 0.98 KMT2A (0.68) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
Bicarbonate SCHEMBL15226101 0.97 KMT2A (0.66) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL12508044 0.96 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL19090237 0.95 KMT2A (0.68) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL4072349 0.92 MEN1 (0.72) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL1688072 0.82 LMNA (0.60) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL8784618 0.81 SMN1; SMN2 (0.73) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL14501013 0.81 KMT2A (0.58) KMT2AMEN1LMNAALDH1A1SMN1; SMN2
SCHEMBL1912299 0.80 NAMPT (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL6385157 0.80 GFER (0.68) KMT2AMEN1LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1616859-B1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP claimed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 US disclosed
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-08-08 US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 US disclosed
US-8404747-B2 Compositions and methods for modulating interaction between polypeptides THE GENERAL HOSPITAL CORPORATION (US) 2013-03-26 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS CREDIT SUISSE AG 2009-09-17 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-7511133-B2 Adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2009-03-31 US disclosed
US-20050250729-A1 Novel adenosine A3 receptor agonists KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2005-11-10 US 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 (4 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-20090233878-A1 NOVEL ADENOSINE A3 RECEPTOR AGONISTS ADORA3, ADORA1, ADORA2A KMT2A 1872/4885MEN1 3593/4885LMNA 3472/4885
US-20050250729-A1 Novel adenosine A3 receptor agonists ADORA3, ADORA2A, ADORA1 KMT2A 3314/4885MEN1 4611/4885LMNA 4090/4885
US-20130203733-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 KMT2A 4744/4885MEN1 1736/4885LMNA 1941/4885
US-20140336178-A1 COMPOSITIONS AND METHODS FOR MODULATING INTERACTION BETWEEN POLYPEPTIDES IAPP, SERPINA6, SERPINA2 KMT2A 4744/4885MEN1 1736/4885LMNA 1941/4885

“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.