SCHEMBL22504995

SCHEMBL22504995

CC(Br)c1oc(=O)c2ccccc2c1-c1ccc(F)c(C2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.34
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31

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
SCHEMBL29641568 1.00 TP53 (0.34) TP53MAPTMEN1ALDH1A1GAA
SCHEMBL22498297 0.90 TP53 (0.36) TP53MAPTMEN1ALDH1A1GAA
SCHEMBL22498233 0.88 MEN1 (0.32) MEN1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL29641596 0.88 MEN1 (0.32) MEN1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL16783476 0.82 HPGD (0.32) TP53MEN1ALDH1A1GAAKMT2A
SCHEMBL22504997 0.81 ALDH1A1 (0.32) TP53MAPTMEN1ALDH1A1GAA
SCHEMBL29641512 0.81 ALDH1A1 (0.32) TP53MAPTMEN1ALDH1A1GAA
SCHEMBL22505053 0.77 MEN1 (0.34) TP53MEN1ALDH1A1GAAKMT2A
SCHEMBL16783447 0.75 GABRP (0.43) MEN1ALDH1A1GAAKMT2ASMN1; SMN2
SCHEMBL22504968 0.75 PIK3CD (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3947384-B1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2023-11-01 — — EP disclosed
US-20220175784-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-09 — — US disclosed
WO-2020200918-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2020-10-08 — — 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-20220175784-A1 ISOCHROMENE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS PIKFYVE, PDPK1, PIK3R5 TP53 1320/4885MAPT 2191/4885MEN1 2896/4885

“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.

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