SCHEMBL212967

SCHEMBL212967

C[C@H](Cl)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
GAA P10253 1/20 0.45
ADRA1D P25100 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNQ4 P56696 1/20 0.39
KCNQ5 Q9NR82 1/20 0.39
ENPP2 Q13822 1/20 0.38
PGR P06401 1/20 0.37
DRD2 P14416 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
CA2 P00918 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL212786 1.00 ALDH1A1 (0.45) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL213023 1.00 ALDH1A1 (0.45) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL84445 0.84 ALDH1A1 (0.47) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL22181477 0.82 ALDH1A1 (0.46) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL30117178 0.81 ALDH1A1 (0.45) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL1738688 0.81 ALDH1A1 (0.45) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL30661278 0.81 ALDH1A1 (0.49) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL212020 0.81 ALDH1A1 (0.49) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL17061124 0.81 ALDH1A1 (0.45) ALDH1A1GAAADRA1DCYP3A4CYP2D6
SCHEMBL30358121 0.81 ALDH1A1 (0.45) ALDH1A1GAAADRA1DCYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088780-B2 5,7-disubstituted thiazolo[4,5-D]pyrimidines for the selective inhibition of chemokine receptors ASTRAZENECA AB (SE) 2012-01-03 US disclosed
US-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 ASTRAZENECA AB (SE) 2009-05-14 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-20090124637-A1 Novel 5,7-Disubstituted [1,3]Thiazolo[4,5-D]Pyrimidin-2(3H)-One Derivatives 794 CX3CR1, CCR2, CCR5 ALDH1A1 897/4885GAA 4201/4885ADRA1D 13/4885

“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.