Sugi Predict

Sugi Predict / Compounds / SCHEMBL506422

SCHEMBL506422

SCHEMBL506422

Cc1cc(CO[Si](C(C)C)(C(C)C)C(C)C)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 4/20 0.47
▸ CYP4F2 P78329 1/20 0.45
▸ CYP4A11 Q02928 1/20 0.45
▸ RARB P10826 1/20 0.44
▸ NR1H4 Q96RI1 1/20 0.42
▸ PARP1 P09874 1/20 0.40
▸ RXRB P28702 4/20 0.39
▸ RXRG P48443 2/20 0.39
▸ AGTR1 P30556 1/20 0.37
▸ AGTR2 P50052 1/20 0.37
▸ HMGB1 P09429 1/20 0.37
▸ CXCL12 P48061 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SRD5A2 P31213 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ PPARG P37231 1/20 0.36

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
SCHEMBL506405 0.86 KDM4E (0.41) CYP4F2CYP4A11PARP1ALDH1A1
SCHEMBL3272099 0.80 RXRA (0.53) RXRARARBPARP1RXRBRXRG
SCHEMBL29288338 0.78 NR1H4 (0.47) RXRACYP4F2CYP4A11RARBNR1H4
SCHEMBL14419132 0.78 RXRA (0.53) RXRACYP4F2CYP4A11RARBNR1H4
SCHEMBL12960365 0.78 RXRA (0.53) RXRACYP4F2CYP4A11RARBNR1H4
SCHEMBL14686226 0.76 RXRA (0.52) RXRACYP4F2CYP4A11RARBNR1H4
SCHEMBL506056 0.75 PARP1 (0.33) RXRAPARP1ALDH1A1
SCHEMBL10159905 0.74 AKR1C2 (0.49) RXRARARBNR1H4RXRBHMGB1
SCHEMBL107902 0.73 HMGB1 (0.58) RXRARARBNR1H4RXRBRXRG
SCHEMBL23501260 0.73 CA2 (0.50) RXRANR1H4PARP1RXRBRXRG

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
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
CN-103228651-A Compounds useful as inhibitors of atr kinase VERTEX PHARMA 2013-07-31 — — CN disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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 (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-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 RXRA 4130/4885CYP4F2 3972/4885CYP4A11 4080/4885

“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.