SCHEMBL1760958

SCHEMBL1760958

COC(=O)c1ccccc1S(=O)(=O)C1CCN(C(=O)Cl)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.43
EPHX1 P07099 2/20 0.43
EPHX2 P34913 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
CYP19A1 P11511 1/20 0.42
F2 P00734 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL1015878 0.83 CA1 (0.58) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4599910 0.83 CA1 (0.58) CA1CA2CA5ACA9ALDH1A1
SCHEMBL8482221 0.79 CA1 (0.54) CA1CA2CA5ACA9ALDH1A1
SCHEMBL427915 0.70 CA1 (0.69) CA1CA2CA5ACA9ALDH1A1
SCHEMBL30545879 0.70 CA1 (0.69) CA1CA2CA5ACA9ALDH1A1
SCHEMBL11661242 0.70 CA1 (0.73) CA1CA2CA5ACA9ALDH1A1
SCHEMBL21384541 0.69 ABL1 (0.48) ALDH1A1HSD17B10GAALMNAKDM4E
SCHEMBL31680985 0.69 PARP2 (0.45) NPC1
SCHEMBL8337431 0.69 CA1 (0.58) CA1CA2CA5ACA9ALDH1A1
Benzene SCHEMBL27506311 0.69 CA1 (0.67) CA1CA2CA5ACA9ALDH1A1

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
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R CA1 4262/4885CA2 628/4885CA5A 819/4885

“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.