SCHEMBL22207663

SCHEMBL22207663

Cc1ccc(S(=O)(=O)OC[C@H]2C[C@H](OCc3ccccc3)CN2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
MCL1 Q07820 7/20 0.45
P2RX7 Q99572 2/20 0.43
GPR119 Q8TDV5 5/20 0.42
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
BDKRB2 P30411 2/20 0.41
BCL2 P10415 1/20 0.39
BCL2L1 Q07817 1/20 0.39
KLK7 P49862 1/20 0.39

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
SCHEMBL21996502 1.00 ABCB1 (0.51) ABCB1MCL1P2RX7GPR119NR1H2
SCHEMBL9067588 1.00 ABCB1 (0.51) ABCB1MCL1P2RX7GPR119NR1H2
SCHEMBL21996496 0.91 GPR119 (0.43) ABCB1MCL1P2RX7GPR119
SCHEMBL28619216 0.88 BDKRB2 (0.45) ABCB1BDKRB2
SCHEMBL21996529 0.87 ABCB1 (0.40) ABCB1MCL1GPR119NR1H2NR1H3
SCHEMBL12460552 0.87 HSD11B1 (0.40) ABCB1MCL1GPR119
SCHEMBL3248153 0.87 ABCB1 (0.54) ABCB1MCL1GPR119NR1H2NR1H3
SCHEMBL29669464 0.87 ABCB1 (0.54) ABCB1MCL1GPR119NR1H2NR1H3
SCHEMBL1366652 0.85 CYP2D6 (0.42) MCL1GPR119
SCHEMBL1366650 0.85 CYP2D6 (0.42) MCL1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3909584-B1 PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2023-12-13 EP disclosed
US-20230285397-A1 EGFR INHIBITOR TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-09-14 US disclosed
US-20230255972-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2023-08-17 US disclosed
EP-4197538-A1 EGFR INHIBITOR Taiho Pharmaceutical Co., Ltd. (JP) 2023-06-21 EP disclosed
EP-4183395-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT Taiho Pharmaceutical Co., Ltd. (JP) 2023-05-24 EP disclosed
WO-2020145374-A1 PYRIMIDINE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2020-07-16 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-20230285397-A1 EGFR INHIBITOR EGFR, ERBB2, ERBB4 ABCB1 556/4885MCL1 2441/4885P2RX7 3283/4885
US-20230255972-A1 PYRIMIDINE COMPOUND-CONTAINING COMBINATION TO BE USED IN TUMOR TREATMENT TYMP, DPYD, TYMS ABCB1 820/4885MCL1 157/4885P2RX7 1547/4885

“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.