SCHEMBL22862702

SCHEMBL22862702

Cc1ncc(C)c(N[C@@H](C)c2ccc(C(=O)O/N=C(\N)C3CC3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 6/20 0.36
▸ LDHB P07195 6/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ ACACB O00763 1/20 0.33
▸ SOS1 Q07889 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPK14 Q16539 2/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ TCF7L2 Q9NQB0 1/20 0.33

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
SCHEMBL22862847 0.84 SOS1 (0.33) LDHASOS1
SCHEMBL22862676 0.83 SMN1; SMN2 (0.36) LDHAIDH1MAPTNPSR1SOS1
SCHEMBL29490179 0.83 SMN1; SMN2 (0.36) LDHAIDH1MAPTNPSR1SOS1
SCHEMBL29490302 0.83 IDH1 (0.42) LDHALDHBIDH1MAPTNPSR1
SCHEMBL22862580 0.83 IDH1 (0.42) LDHALDHBIDH1MAPTNPSR1
SCHEMBL22862696 0.81 LDHA (0.41) LDHALDHBIDH1MAPTVNN1
SCHEMBL29490316 0.80 EGFR (0.36) SOS1
SCHEMBL22862683 0.80 EGFR (0.36) SOS1
SCHEMBL22862634 0.79 AKR1C3 (0.35) MAPTNPSR1VNN1
SCHEMBL22862605 0.79 CTNNB1 (0.45) SOS1CTNNB1TCF7L2

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
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — US disclosed
EP-3976009-A2 BAX INHIBITORS AND USES THEREOF Case Western Reserve University (US) 2022-04-06 — — EP disclosed
WO-2021002986-A2 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY (US) 2021-01-07 — — 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 LDHA 1563/4885LDHB 473/4885IDH1 202/4885

“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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