SCHEMBL1279495

SCHEMBL1279495

CCN1CCN(S(=O)(=O)c2cc(C#N)ccc2Oc2cc(C)cc(C)c2)CC1.CS(=O)(=O)O

nearest known ligand 0.47

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 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 16/20 0.47
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1279808 0.96 MAPK1 (0.46) TBXA2RMAPK1HSD17B10LMNAUSP2
Bromide SCHEMBL1279110 0.95 MAPK1 (0.45) TBXA2RMAPK1HSD17B10LMNAUSP2
Hydrochloric Acid SCHEMBL1279664 0.95 MAPK1 (0.45) TBXA2RMAPK1HSD17B10LMNAUSP2
SCHEMBL1279160 0.89 TBXA2R (0.46) TBXA2RMAPK1HSD17B10LMNAGAA
SCHEMBL693683 0.87 TBXA2R (0.45) TBXA2RMAPK1USP2GAAKMT2A
Sulfuric Acid SCHEMBL1279705 0.86 TBXA2R (0.44) TBXA2RMAPK1HSD17B10LMNAGAA
SCHEMBL1279869 0.85 CNR1 (0.44) TBXA2RMAPK1HSD17B10LMNAGAA
SCHEMBL694163 0.84 TBXA2R (0.45) TBXA2RMAPK1GAAKMT2A
SCHEMBL12693469 0.83 TBXA2R (0.47) TBXA2RUSP2GAAKMT2A
Phosphoric Acid SCHEMBL1279187 0.83 CNR1 (0.43) TBXA2RMAPK1HSD17B10LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TBXA2R 2996/4885MAPK1 317/4885HSD17B10 1836/4885

“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.