SCHEMBL14768599

SCHEMBL14768599

Cc1cc(C)cc(Sc2ccc(C#N)cc2CN2CCS(=O)(=O)CC2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALK Q9UM73 3/20 0.40
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
KDM1A O60341 4/20 0.35
CHRNA7 P36544 2/20 0.35
DRD2 P14416 3/20 0.33
DRD4 P21917 3/20 0.33
DRD3 P35462 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL14768622 0.93 KMT2A (0.40) KMT2AMEN1ALKALDH1A1NPC1
SCHEMBL14768628 0.90 LMNA (0.40) KMT2AMEN1ALKALDH1A1NPC1
SCHEMBL14768619 0.86 CHRNA7 (0.43) KMT2AALDH1A1KDM1ACHRNA7DRD2
SCHEMBL14768634 0.84 ADORA2A (0.35) KDM1ACHRNA7DRD2DRD4DRD3
SCHEMBL14768592 0.84 CYP2A13 (0.40) KMT2AMEN1KDM1ADRD2DRD4
SCHEMBL14768590 0.83 ACHE (0.41) KMT2AMEN1ALDH1A1NPC1KDM1A
SCHEMBL14039265 0.80 SLC6A4 (0.42) KMT2AALDH1A1KDM1A
SCHEMBL15334538 0.80 ALK (0.35) ALKAR
SCHEMBL14768607 0.79 CHRNA7 (0.39) ALDH1A1CHRNA7DRD2DRD4DRD3
SCHEMBL14768603 0.78 KMT2A (0.41) KMT2AMEN1ALKALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. 2016-02-04 US disclosed
US-9187425-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2015-11-17 US disclosed
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2014-03-06 US disclosed
US-8563544-B2 2,5-disubstituted arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2013-10-22 US disclosed
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2013-03-14 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 (3 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-20160031841-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 KMT2A 2893/4885MEN1 4334/4885ALK 3251/4885
US-20140066446-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 KMT2A 2893/4885MEN1 4334/4885ALK 3251/4885
US-20130065889-A1 2,5-DISUBSTITUTED ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 KMT2A 2893/4885MEN1 4334/4885ALK 3251/4885

“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.