SCHEMBL2821022

SCHEMBL2821022

Cc1cc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCNCC2)cc(C)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 8/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.47
TBXA2R P21731 3/20 0.46
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 1/20 0.45
MCOLN3 Q8TDD5 1/20 0.45
HTR6 P50406 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2823427 0.92 L3MBTL1 (0.53) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2818876 0.91 TBXA2R (0.57) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2819745 0.89 L3MBTL1 (0.55) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2819893 0.89 L3MBTL1 (0.51) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2820357 0.89 ALDH1A1 (0.51) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3014573 0.88 L3MBTL1 (0.50) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2820447 0.86 KMT2A (0.59) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2819558 0.86 ALDH1A1 (0.57) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2818841 0.86 KMT2A (0.53) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2821962 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1KMT2ASMN1; SMN2MEN1

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
EP-1849469-B1 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC (US) 2010-10-27 EP claimed
US-7700586-B2 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2010-04-20 US claimed
US-8242118-B2 Arylsulfonamide derivatives for use as CCR3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS INC. (US) 2012-08-14 US disclosed
US-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS BAYER HEALTHCARE AG (DE) 2010-08-12 US disclosed
US-7700586-B2 Arylsulfonamide derivatives for use as ccr3 antagonists in the treatment of inflammatory and immunological disorders AXIKIN PHARMACEUTICALS, INC. (US) 2010-04-20 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-20100204213-A1 ARYLSULFONAMIDE DERIVATIVES FOR USE AS CCR3 ANTAGONISTS IN THE TREATMENT OF INFLAMMATORY AND IMMUNOLOGICAL DISORDERS CCR3, CCR1, CCR2 L3MBTL1 4577/4885ALDH1A1 2416/4885KMT2A 2753/4885

“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.