SCHEMBL30151995

SCHEMBL30151995

CC(=O)SCCCC(=O)Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 3/20 0.44
CYP2C19 P33261 1/20 0.43
HDAC3 O15379 2/20 0.42
HDAC4 P56524 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC9 Q9UKV0 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8614185 0.91 ALDH1A1 (0.52) ALDH1A1TP53TSHRCYP2C19HDAC3
SCHEMBL4589721 0.85
SCHEMBL7908937 0.79 CYP2C19 (0.55) ALDH1A1TSHRCYP2C19HDAC3HDAC4
SCHEMBL27822244 0.79 CYP2C19 (0.55) ALDH1A1TP53TSHRCYP2C19HDAC3
SCHEMBL1820452 0.78 TSHR (0.54) ALDH1A1TSHRCYP2C19HDAC3HDAC4
SCHEMBL14076451 0.77 HDAC3 (0.40) TSHRCYP2C19HDAC3HDAC4HDAC1
SCHEMBL6871500 0.76 CYP2C19 (0.52) TP53CYP2C19HDAC3HDAC4HDAC1
SCHEMBL14478080 0.76 CYP2C19 (0.52) TP53CYP2C19HDAC3HDAC4HDAC1
SCHEMBL9189731 0.75
SCHEMBL6045065 0.75

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-11718637-B2 Prodrugs of 4′-C-substituted-2-halo-2′- deoxyadenosine nucleosides and methods of making and using the same GILEAD SCIENCES, INC. (US) 2023-08-08 US disclosed
EP-4121437-A1 PRODRUGS OF 4'-C-SUBSTITUTED-2-HALO-2'-DEOXYADENOSINE NUCLEOSIDES AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-01-25 EP disclosed
US-20220363708-A1 PRODRUGS OF 4'-C-SUBSTITUTED-2-HALO-2'-DEOXYADENOSINE NUCLEOSIDES AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. 2022-11-17 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-20220363708-A1 PRODRUGS OF 4'-C-SUBSTITUTED-2-HALO-2'-DEOXYADENOSINE NUCLEOSIDES AND METHODS OF MAKING AND USING THE SAME DCTD, MTAP, ADA ALDH1A1 1399/4885TP53 1595/4885TSHR 4139/4885
US-11718637-B2 Prodrugs of 4′-C-substituted-2-halo-2′- deoxyadenosine nucleosides and methods of making and using the same DCTD, MTAP, ADA ALDH1A1 1365/4885TP53 1654/4885TSHR 4178/4885

“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.