SCHEMBL3754571

SCHEMBL3754571

C[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
MME P08473 2/20 0.37
ACE P12821 1/20 0.37
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.33
RECQL P46063 2/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APAF1 O14727 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
SCHEMBL4784364 0.87 ALDH1A1 (0.39) MAPTCYP3A4HTTSMN1; SMN2CYP2C19
SCHEMBL30424924 0.87 CYP3A4 (0.33) MAPTCYP3A4HTTSMN1; SMN2TSHR
SCHEMBL30424461 0.87 CYP3A4 (0.33) MAPTCYP3A4HTTSMN1; SMN2TSHR
SCHEMBL4784371 0.87 ALDH1A1 (0.39) MAPTCYP3A4HTTSMN1; SMN2CYP2C19
SCHEMBL1487107 0.85 PPID (0.39) MAPTCYP3A4TSHRCYP2C19ALDH1A1
SCHEMBL1927300 0.83 KMT2A (0.41) KMT2ACYP2C19
SCHEMBL1487233 0.83 KMT2A (0.41) KMT2ACYP2C19
SCHEMBL1926988 0.83 KMT2A (0.41) KMT2ACYP2C19
SCHEMBL30879112 0.82 KMT2A (0.46) MAPTTSHRKMT2ARECQLMEN1
SCHEMBL5971112 0.82 KMT2A (0.46) MAPTTSHRKMT2ARECQLMEN1

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 9 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-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 (4 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 MAPT 4112/4885MME 1270/4885ACE 369/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 MAPT 4112/4885MME 1270/4885ACE 369/4885
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 MAPT 4176/4885MME 1476/4885ACE 379/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 MAPT 4176/4885MME 1476/4885ACE 379/4885

“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.