SCHEMBL1761018

SCHEMBL1761018

O=C(Cl)N1CCC(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.50
▸ ELOVL6 Q9H5J4 2/20 0.49
▸ CTSS P25774 1/20 0.48
▸ CACNA1B Q00975 11/20 0.46
▸ NR1I2 O75469 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MGLL Q99685 1/20 0.46
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CYP3A4 P08684 1/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL1498303 0.89 CNR1 (0.51) CNR1ELOVL6CTSSCACNA1BNR1I2
SCHEMBL1498586 0.87 CNR1 (0.47) CNR1ELOVL6CTSSCACNA1BNR1I2
SCHEMBL12692920 0.84 CTSS (0.52) CNR1ELOVL6CTSSCACNA1BLMNA
SCHEMBL1498436 0.82 STS (0.58) CNR1CACNA1BNR1I2ADORA2AADORA2B
SCHEMBL2423283 0.80 CA1 (0.51) CNR1ELOVL6CTSSLMNAPOLB
SCHEMBL28801608 0.79 CTSS (0.44) CNR1ELOVL6CTSSCACNA1BNR1I2
SCHEMBL1498584 0.79 CA1 (0.51) CNR1ELOVL6CTSSLMNAPOLB
SCHEMBL12542343 0.78 CNR1 (0.49) CNR1ELOVL6CTSSCACNA1BNR1I2
SCHEMBL10476060 0.77 CTSS (0.46) CNR1ELOVL6CTSSLMNAADORA2A
SCHEMBL1809428 0.77 HTR2A (0.51) CTSSCACNA1BNR1I2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 — — CN disclosed
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
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 — — CN 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 CNR1 361/4885ELOVL6 4111/4885CTSS 3922/4885

“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.

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