SCHEMBL3916768

SCHEMBL3916768

O=C1C[C@@H](C(=O)O)c2ccccc2N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
CREBBP Q92793 7/20 0.45
BRD4 O60885 7/20 0.45
EP300 Q09472 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
EGFR P00533 1/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40

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
SCHEMBL29990165 1.00 ALDH1A1 (1.00) ALDH1A1CREBBPBRD4EP300TSHR
SCHEMBL1843998 1.00 ALDH1A1 (1.00) ALDH1A1CREBBPBRD4EP300TSHR
SCHEMBL3919961 1.00 ALDH1A1 (1.00) ALDH1A1CREBBPBRD4EP300TSHR
SCHEMBL30863319 1.00 ALDH1A1 (1.00) ALDH1A1CREBBPBRD4EP300TSHR
SCHEMBL19953555 0.85 ALDH1A1 (0.73) ALDH1A1CREBBPBRD4EP300TSHR
SCHEMBL13652133 0.83 ALDH1A1 (0.71) ALDH1A1MAPT
SCHEMBL19960652 0.81 ALDH1A1 (0.68) ALDH1A1CREBBPBRD4EP300LMNA
SCHEMBL11775988 0.80 ALDH1A1 (0.67) ALDH1A1CREBBPBRD4EP300TSHR
SCHEMBL3912643 0.78 ALDH1A1 (0.63) ALDH1A1MAPTIDO1
SCHEMBL15897160 0.78 ALDH1A1 (0.63) ALDH1A1LMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US claimed
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 EP claimed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 WO claimed
CN-117916231-A Compounds for inhibiting or degrading target proteins, compositions comprising the same, methods of making and methods of using the same 纽力克斯治疗公司 2024-04-19 CN disclosed
EP-4334302-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE Nurix Therapeutics, Inc. (US) 2024-03-13 EP disclosed
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. 2023-05-25 US disclosed
WO-2022235698-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE NURIX THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 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 (2 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-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP ALDH1A1 1523/4885CREBBP 2474/4885BRD4 285/4885
US-20230158151-A1 COMPOUNDS FOR INHIBITING OR DEGRADING TARGET PROTEINS, COMPOSITIONS, COMPRISING THE SAME, METHODS OF THEIR MAKING, AND METHODS OF THEIR USE MDM2, XIAP, ADRM1 ALDH1A1 3345/4885CREBBP 735/4885BRD4 332/4885

“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.