SCHEMBL31028286

SCHEMBL31028286

CC(C)(C)OC(=O)N[C@H](CCCOc1ccc(Cl)c(Cl)c1CO)C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 1/20 0.44
CTSK P43235 5/20 0.39
TDP1 Q9NUW8 6/20 0.39
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 6/20 0.39
MAPT P10636 6/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 3/20 0.39
AAK1 Q2M2I8 1/20 0.38
POLB P06746 4/20 0.38
MEN1 O00255 2/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36

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
SCHEMBL28821334 0.92 ITGB3 (0.43) P2RY2CTSKAAK1ITGB3ITGA2B
SCHEMBL24075680 0.84 AAK1 (0.44) CTSKATMMAPTKDM4EAAK1
SCHEMBL31028267 0.84 P2RY2 (0.44) P2RY2CTSKTDP1ATMNPSR1
SCHEMBL24075373 0.83 LTA4H (0.36) MAPTKMT2AKDM4EMEN1ALDH1A1
SCHEMBL31028260 0.80 P2RY2 (0.40) P2RY2CTSKTDP1NPSR1MAPT
SCHEMBL28821349 0.76 ITGB3 (0.42) P2RY2CTSKAAK1ITGB3ITGA2B
SCHEMBL31028274 0.76 LMNA (0.36) P2RY2TDP1ATMNPSR1MAPT
SCHEMBL24074705 0.75 MAPT (0.40) TDP1MAPTKMT2AKDM4EMEN1
SCHEMBL20089226 0.72 CTSK (0.47) P2RY2CTSKTDP1ATMNPSR1
SCHEMBL17369171 0.71 CTSK (0.49) P2RY2CTSKTDP1ATMNPSR1

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-12371434-B2 MLL1 inhibitors and anti-cancer agents CHINA NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH CO., LTD. (CN) 2025-07-29 US disclosed
EP-4013754-B1 MLL1 INHIBITORS AND ANTI-CANCER AGENTS NOVARTIS AG (CH) 2024-07-24 EP 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-12371434-B2 MLL1 inhibitors and anti-cancer agents MLLT1, BMI1, DOT1L P2RY2 4298/4885CTSK 4303/4885TDP1 1975/4885

“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.