SCHEMBL1487258

SCHEMBL1487258

CC(C)(C)NC(=O)c1ccc(S(N)(=O)=O)o1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
HTT P42858 3/20 0.59
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 6/20 0.38
CA1 P00915 4/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 2/20 0.38
EPHX2 P34913 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35

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
SCHEMBL8475504 0.85 ALDH1A1 (0.43) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL8471876 0.83 ALDH1A1 (0.41) ALDH1A1HTTLMNASMN1; SMN2KMT2A
SCHEMBL13543152 0.78 ALDH1A1 (0.60) ALDH1A1HTTSMN1; SMN2CA2CA1
SCHEMBL24688169 0.77 ALDH1A1 (0.59) ALDH1A1HTTKMT2ACA2CA1
SCHEMBL21210760 0.77 ALDH1A1 (0.69) ALDH1A1HTTSMN1; SMN2KMT2ACA2
SCHEMBL2008225 0.75 ALDH1A1 (1.00) ALDH1A1HTTLMNAKMT2ACA2
SCHEMBL9282506 0.74 KLK7 (0.59) ALDH1A1HTTLMNASMN1; SMN2TSHR
SCHEMBL15013774 0.73 ALDH1A1 (0.62) ALDH1A1HTTSMN1; SMN2CA2CA1
SCHEMBL29033400 0.73 ALDH1A1 (0.62) ALDH1A1HTTLMNASMN1; SMN2CA2
SCHEMBL21980706 0.73 ALDH1A1 (0.46) ALDH1A1HTTLMNASMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722883-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2014-05-13 US disclosed
EP-1809624-B1 PYRIMIDINE SULPHONAMIDE DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ASTRAZENECA AB (SE) 2013-11-20 EP disclosed
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA R&D ALDERLY PARK (GB) 2013-08-08 US disclosed
US-8410123-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2013-04-02 US disclosed
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2013-01-10 US disclosed
US-8269002-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-09-18 US disclosed
US-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2012-06-21 US disclosed
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2011-05-26 US disclosed
EP-2311827-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators. AstraZeneca AB (SE) 2011-04-20 EP disclosed
EP-2301933-A1 Thiopyrimidine derivative, useful as an intermediate for chemokine receptor modulators AstraZeneca AB (SE) 2011-03-30 EP disclosed
US-7838675-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2010-11-23 US disclosed
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators ASTRAZENECA AB (SE) 2008-04-24 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 (5 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-20120157431-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALDH1A1 2139/4885HTT 4248/4885LMNA 4718/4885
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALDH1A1 2139/4885HTT 4248/4885LMNA 4718/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALDH1A1 2139/4885HTT 4248/4885LMNA 4718/4885
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALDH1A1 1919/4885HTT 4285/4885LMNA 4778/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 ALDH1A1 1919/4885HTT 4285/4885LMNA 4778/4885

“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.