SCHEMBL1279765

SCHEMBL1279765

CS(=O)(=O)O.N#Cc1ccc(Sc2cc(Cl)cc(Cl)c2)c(S(=O)(=O)N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.42

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.40
MCHR1 Q99705 7/20 0.40
ALK Q9UM73 1/20 0.38
KDM2B Q8NHM5 1/20 0.38
CNR1 P21554 1/20 0.38
HTT P42858 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
MGLL Q99685 1/20 0.37
CYP19A1 P11511 1/20 0.36

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
Sulfuric Acid SCHEMBL1280021 0.96 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPK1MCHR1
SCHEMBL1279540 0.95 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPK1IRAK4
Hydrochloric Acid SCHEMBL1279104 0.94 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AMAPK1IRAK4
Phosphoric Acid SCHEMBL1279803 0.93 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPK1MCHR1
SCHEMBL1280033 0.87 CNR1 (0.41) ALDH1A1MEN1KMT2ACNR1HTT
SCHEMBL1279061 0.84 CNR1 (0.39) MCHR1ALKCNR1TRPV4MGLL
SCHEMBL693813 0.84 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPK1IRAK4
Sulfuric Acid SCHEMBL1280094 0.84 L3MBTL1 (0.41) ALDH1A1MEN1KMT2ACNR1HTT
SCHEMBL13157386 0.83 TSHR (0.46) ALDH1A1MAPK1CNR1HTTTRPV4
SCHEMBL1279059 0.82 L3MBTL1 (0.44) ALDH1A1MEN1KMT2ACNR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627635-A1 SALTS OF ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2013-08-21 EP claimed
WO-2012051090-A1 SALTS OF ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2012-04-19 WO claimed
US-20120088769-A1 SALTS OF ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2012-04-12 US claimed
EP-2627635-A1 SALTS OF ARYLSULFONAMIDE CCR3 ANTAGONISTS Axikin Pharmaceuticals, Inc. (US) 2013-08-21 EP disclosed
WO-2012051090-A1 SALTS OF ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
US-20120088769-A1 SALTS OF ARYLSULFONAMIDE CCR3 ANTAGONISTS AXIKIN PHARMACEUTICALS, INC. (US) 2012-04-12 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 (1 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-20120088769-A1 SALTS OF ARYLSULFONAMIDE CCR3 ANTAGONISTS CCR3, CCR1, CCR4 ALDH1A1 1674/4885MEN1 4363/4885KMT2A 3216/4885

“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.