SCHEMBL19743584

SCHEMBL19743584

CS(=O)(=O)OCc1ccccc1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
MMP9 P14780 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
ADAM17 P78536 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
C1R P00736 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
SCHEMBL5273095 0.90 CYP1A2 (0.41) IDO1CYP1A2CYP2D6CYP3A4CYP2C19
SCHEMBL4888961 0.84 CYP1A2 (0.39) CYP1A2CYP2D6CYP3A4CA1CA2
SCHEMBL17372880 0.81 TAAR1 (0.46) IDO1TAAR1CYP1A2CYP2D6CYP3A4
SCHEMBL19974316 0.78 MAOB (0.44) TAAR1CYP1A2CYP2D6CYP3A4ALDH1A1
SCHEMBL18671157 0.78 SMN1; SMN2 (0.47) CA1CA2CA9KDM4E
SCHEMBL8516047 0.78 CA1 (0.43) CYP1A2CYP3A4CYP2C9CA1CA2
SCHEMBL3845971 0.77 CYP1A2 (0.48) CYP1A2CYP2D6CYP3A4CYP2C19MEN1
SCHEMBL20462961 0.77 IDO1 (0.52) IDO1TAAR1CYP1A2CYP2D6CYP3A4
SCHEMBL778643 0.77 IDO1 (0.52) IDO1TAAR1KDM4EALDH1A1LMNA
SCHEMBL10962586 0.77 IDO1 (0.52) IDO1TAAR1KDM4EALDH1A1LMNA

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 9 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 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 IDO1 1071/4885TAAR1 95/4885CYP1A2 317/4885
US-10457685-B2 [1,2,3]triazolo[4,5-D]pyrimidine derivatives with affinity for the type-2 cannabinoid receptor CNR2, CNR1, P2RY2 IDO1 1071/4885TAAR1 95/4885CYP1A2 317/4885

“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.