SCHEMBL22473322

SCHEMBL22473322

CCOC(=O)C[C@@H](C)CC(=O)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 4/20 0.45
NPC1 O15118 2/20 0.45
HTR7 P34969 1/20 0.45
MAPT P10636 3/20 0.44
CASP3 P42574 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL22118326 0.84 MAPT (0.48) KMT2AKDM4EALDH1A1MEN1NPC1
SCHEMBL22473323 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1MEN1NPC1
SCHEMBL23456916 0.81 KMT2A (0.44) KMT2AKDM4EALDH1A1MEN1NPC1
SCHEMBL314260 0.79 KMT2A (0.54) KMT2AKDM4EALDH1A1MEN1NPC1
SCHEMBL4686898 0.78 LMNA (0.61) KMT2AKDM4EALDH1A1MEN1NPC1
Propane SCHEMBL27304878 0.78 KMT2A (0.53) KMT2AKDM4EALDH1A1MEN1NPC1
SCHEMBL3390348 0.76 NPSR1 (0.48) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL5972479 0.76 GAA (0.55) KDM4EALDH1A1LMNACYP1A2
SCHEMBL29217293 0.76 KMT2A (0.49) KMT2AKDM4EALDH1A1MEN1NPC1
SCHEMBL1156727 0.76 KMT2A (0.49) KMT2AKDM4EALDH1A1MEN1NPC1

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-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 US 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-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB KMT2A 1302/4885KDM4E 2537/4885ALDH1A1 1169/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB KMT2A 1302/4885KDM4E 2537/4885ALDH1A1 1169/4885

“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.