SCHEMBL22862684

SCHEMBL22862684

Cc1nc(N[C@@H](C)c2ccc(C(=O)O)cc2)c2cc(C)oc2n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 11/20 0.49
▸ KDR P35968 8/20 0.49
▸ PDGFRB P09619 4/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ LDHA P00338 5/20 0.42
▸ LDHB P07195 3/20 0.42
▸ KRAS P01116 2/20 0.41
▸ SOS1 Q07889 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 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
SCHEMBL29490218 1.00 EGFR (0.49) EGFRKDRPDGFRBKDM4EALDH1A1
SCHEMBL22862554 0.89 EGFR (0.46) EGFRKDRPDGFRBKDM4EALDH1A1
SCHEMBL22862715 0.89 LDHA (0.45) EGFRKDRLDHALDHB
SCHEMBL29490352 0.89 LDHA (0.45) EGFRKDRLDHALDHB
SCHEMBL29490306 0.89 EGFR (0.46) EGFRKDRPDGFRBKDM4EALDH1A1
SCHEMBL22862964 0.83 EGFR (0.50) EGFRKDRPDGFRBKDM4EALDH1A1
SCHEMBL29490226 0.83 EGFR (0.50) EGFRKDRPDGFRBKDM4EALDH1A1
SCHEMBL22862686 0.83 EGFR (0.50) EGFRKDRPDGFRBKDM4EKRAS
SCHEMBL29490225 0.83 EGFR (0.50) EGFRKDRPDGFRBKDM4EKRAS
SCHEMBL22862570 0.78 RAB9A (0.38) EGFRKDRPDGFRBKDM4EALDH1A1

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 2 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
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 EGFR 3230/4885KDR 3642/4885PDGFRB 2937/4885

“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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