SCHEMBL22015103

SCHEMBL22015103

CC1(C)C[C@@H]2CN(CCS(=O)(=O)CCN)C[C@H]1N(c1ccc(N3CCS(=O)(=O)CC3)cc1)C2

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RORC P51449 1/20 0.30

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
SCHEMBL24208967 1.00 ALDH1A1 (0.31) ALDH1A1KDM4ERORC
SCHEMBL22015375 1.00 ALDH1A1 (0.31) ALDH1A1KDM4ERORC
SCHEMBL24209224 1.00 ALDH1A1 (0.31) ALDH1A1KDM4ERORC
SCHEMBL24208996 0.84 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL22015438 0.81 TP53 (0.33) ALDH1A1
SCHEMBL22014794 0.81 TP53 (0.33) ALDH1A1
SCHEMBL24209047 0.81 TP53 (0.33) ALDH1A1
SCHEMBL20898342 0.80 ALDH1A1 (0.32) ALDH1A1KDM4ERORC
SCHEMBL20907500 0.80 ALDH1A1 (0.32) ALDH1A1KDM4ERORC
Hydrochloric Acid SCHEMBL22555786 0.79 ALDH1A1 (0.31) ALDH1A1KDM4ERORC

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
CN-113365984-B LOX inhibitors 癌症研究协会皇家癌症医院 2024-10-15 CN disclosed
US-20220017516-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-01-20 US disclosed
WO-2020099886-A1 LOX INHIBITORS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2020-05-22 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-20220017516-A1 LOX INHIBITORS LOXL1, LOX, LOXL2 ALDH1A1 122/4885KDM4E 849/4885RORC 2373/4885

“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.