SCHEMBL1786903

SCHEMBL1786903

CCOC[C@@H]1COC(C)(C)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TSHR P16473 3/20 0.35
MAPK1 P28482 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
F10 P00742 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
TMEM97 Q5BJF2 1/20 0.32
SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL1487288 1.00 CA2 (0.54) CA2ALDH1A1NPSR1CYP2D6SLC6A2
SCHEMBL12967131 1.00 CA2 (0.54) CA2ALDH1A1NPSR1CYP2D6SLC6A2
SCHEMBL7875753 0.90 CA2 (0.59) CA2ALDH1A1NPSR1TSHRMAPK1
SCHEMBL17461669 0.89 CA2 (0.49) CA2ALDH1A1NPSR1CYP2D6SLC6A2
SCHEMBL2462186 0.85 CA2 (0.51) CA2ALDH1A1NPSR1TSHRMAPK1
SCHEMBL1700171 0.84 CA2 (0.54) CA2ALDH1A1NPSR1TSHRMAPK1
SCHEMBL3428396 0.82 CA2 (0.53) CA2ALDH1A1NPSR1TSHRMAPK1
SCHEMBL12921173 0.82 CA2 (0.53) CA2ALDH1A1NPSR1TSHRMAPK1
SCHEMBL15928442 0.82 SMN1; SMN2 (0.59) CA2ALDH1A1NPSR1TSHRMAPK1
SCHEMBL15928604 0.82 SMN1; SMN2 (0.59) CA2ALDH1A1NPSR1TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-8722883-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2014-05-13 US 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
CN-102796081-A Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB 2012-11-28 CN disclosed
US-8269002-B2 Pyrimidine sulphonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2012-09-18 US disclosed
CN-101048401-B Pyrimidine sulfonamide derivatives as chemokine receptor modulators ASTRAZENECA AB 2012-09-12 CN 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
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
CN-101048401-A Pyrimidine sulfonamide derivatives as chemokine receptor modulators ASTRAZENECA AB (SE) 2007-10-03 CN 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 (6 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 CA2 3334/4885ALDH1A1 2139/4885NPSR1 112/4885
US-20110124619-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA2 3334/4885ALDH1A1 2139/4885NPSR1 112/4885
US-20130203991-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA2 3334/4885ALDH1A1 2139/4885NPSR1 112/4885
US-20080096860-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA2 3317/4885ALDH1A1 1919/4885NPSR1 117/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS CA2 4037/4885ALDH1A1 2548/4885NPSR1 4779/4885
US-20130012490-A1 Pyrimidine Sulphonamide Derivatives as Chemokine Receptor Modulators CXCR1, CCR5, ACKR3 CA2 3317/4885ALDH1A1 1919/4885NPSR1 117/4885

“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.