SCHEMBL30184503

SCHEMBL30184503

COc1cc(P2(=O)CCN(C(=O)C3CC3)CC2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MTNR1B P49286 5/20 0.40
MTNR1A P48039 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 1/20 0.39
NOS2 P35228 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAK O14976 1/20 0.39
CFTR P13569 1/20 0.38

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
SCHEMBL30184632 0.82 ALDH1A1 (0.44) GAATP53MAPTALDH1A1PKM
SCHEMBL30184549 0.80 GAA (0.41) GAATP53MAPTALDH1A1PKM
SCHEMBL22232917 0.80 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL15600809 0.79 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2ATSHR
SCHEMBL13362033 0.77 TDP1 (0.55) GAATP53MAPTALDH1A1MEN1
SCHEMBL15650661 0.77 GAA (0.68) GAAALDH1A1MEN1KMT2ALMNA
SCHEMBL21938970 0.76 HTR4 (0.36) ALDH1A1NPC1TSHR
SCHEMBL11900225 0.76 ALDH1A1 (0.41) GAAALDH1A1TSHR
SCHEMBL30184542 0.76 ALDH1A1 (0.49) GAAMAPTALDH1A1PKMMEN1
SCHEMBL11916218 0.75 ALDH1A1 (0.47) GAAMAPTALDH1A1PKMMEN1

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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US disclosed
EP-4384510-A1 COMPOUNDS TARGETING MUTANT OF P53 Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-06-19 EP disclosed
WO-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 GAA 852/4885TP53 1/4885MAPT 2352/4885

“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.