SCHEMBL22717582

SCHEMBL22717582

COC(=O)c1cc(CO)ncc1-c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 1/20 0.46
▸ MAPT P10636 6/20 0.45
▸ HSP90AA1 P07900 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ HSD17B10 Q99714 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP2C19 P33261 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ PLA2G2A P14555 1/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41

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
SCHEMBL29575360 1.00 VDR (0.46) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL22717445 0.89 ALDH1A1 (0.47) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL22717528 0.86 VDR (0.43) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL22717397 0.85 POLQ (0.53) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL24770167 0.82 POLQ (0.43) KDM4EPLA2G2ASLC6A3SLC6A4POLQ
SCHEMBL30017759 0.82 POLQ (0.43) KDM4EPLA2G2ASLC6A3SLC6A4POLQ
SCHEMBL29574586 0.82 SLC6A3 (0.47) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL22717423 0.82 SLC6A3 (0.47) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL22717267 0.82 ALDH1A1 (0.50) VDRMAPTHSP90AA1HTTNPSR1
SCHEMBL22717287 0.81 DHODH (0.47) HTTALDH1A1HSD17B10HPGDKDM4E

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
US-20260049074-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. (US) 2026-02-19 — — US disclosed
US-12509454-B2 Thiadiazolyl derivatives IDEAYA BIOSCIENCES, INC. (US) 2025-12-30 — — US disclosed
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
EP-3976608-B1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES INC (US) 2023-11-08 — — EP disclosed
US-20230078112-A1 THIADIAZOLYL DERIVATIVES IDEAYA BIOSCIENCES, INC. 2023-03-16 — — US disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 — — EP disclosed
CN-114127062-A Thiadiazolyl derivatives as inhibitors of DNA polymerase Theta 伊迪亚生物科学有限公司 2022-03-01 — — CN disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — WO disclosed
WO-2020243459-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-12-03 — — 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 (3 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-20260049074-A1 THIADIAZOLYL DERIVATIVES POLH, POLM, POLD1 VDR 1100/4885MAPT 4800/4885HSP90AA1 356/4885
US-20230078112-A1 THIADIAZOLYL DERIVATIVES POLQ, POLK, POLA1 VDR 1826/4885MAPT 3793/4885HSP90AA1 278/4885
US-12509454-B2 Thiadiazolyl derivatives POLD1, POLQ, DNA2 VDR 1750/4885MAPT 2801/4885HSP90AA1 396/4885

“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.

Send feedback