SCHEMBL19743670

SCHEMBL19743670

O=S(=O)(F)Cc1[c]cccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
ELANE P08246 1/20 0.48
PRTN3 P24158 1/20 0.48
PRSS3 P35030 1/20 0.48
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
MGLL Q99685 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8480017 0.79 CA2 (0.48) FAAHPRSS1PRSS2ELANEPRTN3
SCHEMBL7516044 0.79 CA1 (0.35) FAAHPRSS1PRSS2ELANEPRTN3
SCHEMBL8823424 0.79 ALDH1A1 (0.33) FAAHPRSS1PRSS2ELANEPRTN3
SCHEMBL239869 0.79 LMNA (0.33) FAAHPRSS1PRSS2ELANEPRTN3
SCHEMBL1987184 0.78 PSIP1 (0.34) CA1CA2MMP1MMP2MMP9
SCHEMBL3097610 0.76 PSIP1 (0.47) KMT2A
SCHEMBL8474314 0.75 CA1 (0.36) CA1CA2MMP1MMP2MMP9
SCHEMBL8481767 0.75 CA12 (0.33) CA2CA9
SCHEMBL1727931 0.71 ELANE (0.38) FAAHPRSS1PRSS2ELANEPRTN3
SCHEMBL3097868 0.71 PSEN1 (0.43) CA1CA2CA5ACA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3475282-B1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN LA ROCHE (CH) 2023-08-09 EP claimed
CN-115093418-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-23 CN claimed
CN-115073476-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-20 CN claimed
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US claimed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US claimed
EP-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP claimed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO claimed
EP-3475282-B1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN LA ROCHE (CH) 2023-08-09 EP disclosed
EP-4108665-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. Hoffmann-La Roche AG (CH) 2022-12-28 EP disclosed
CN-115093418-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-23 CN disclosed
CN-115073476-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-09-20 CN disclosed
CN-113943297-A [1,2,3] triazolo [4,5-d ] pyrimidine derivatives having affinity for cannabinoid type 2 receptors 豪夫迈·罗氏有限公司 2022-01-18 CN disclosed
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor HOFFMANN-LA ROCHE INC. (US) 2019-10-29 US disclosed
US-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
EP-3475282-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR H. Hoffnabb-La Roche Ag (CH) 2019-05-01 EP disclosed
WO-2017220517-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2017-12-28 WO 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 (2 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-20190127384-A1 [1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES WITH AFFINITY FOR THE TYPE-2 CANNABINOID RECEPTOR CNR2, CNR1, P2RY2 FAAH 79/4885PRSS1 4436/4885PRSS2 4027/4885
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor CNR2, CNR1, P2RY2 FAAH 79/4885PRSS1 4436/4885PRSS2 4027/4885

“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.