SCHEMBL22960799

SCHEMBL22960799

COc1cc(C=O)c2sc(CO)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.41
TRIM24 O15164 1/20 0.37
TYR P14679 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
CYP2A6 P11509 1/20 0.36
ALDH1A1 P00352 5/20 0.35
S1PR4 O95977 1/20 0.32
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
RAB9A P51151 1/20 0.32
BACE1 P56817 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL21224529 0.78 PARP15 (0.39) ERN1CYP2A6CYP1A1CYP1B1CYP1A2
SCHEMBL6839989 0.70 BACE1 (0.62) CYP2A6BACE1CYP1A2
SCHEMBL27518325 0.67 ERN1 (0.50) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL10734590 0.67 ERN1 (0.46) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL534427 0.67 CYP2A6 (0.53) CYP2A6ALDH1A1PTGS1AKR1C3AKR1C2
SCHEMBL1908612 0.67 ALDH1A1 (0.40) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL7285302 0.66 ERN1 (0.62) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL24994674 0.65 ALDH1A1 (0.41) ERN1TRIM24TYRTRIM33ALDH1A1
SCHEMBL10728453 0.64 ERN1 (0.53) ERN1TRIM24TYRTRIM33CYP2A6
SCHEMBL21379479 0.63 ALDH1A1 (0.42) ERN1TRIM24TYRTRIM33ALDH1A1

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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate MAVERIX ONCOLOGY, INC. (US) 2023-09-19 US disclosed
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE MAVERIX ONCOLOGY, INC. 2021-02-11 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-11760773-B2 Small molecule drug conjugates of gemcitabine monophosphate ZYX, SLC7A5, GMPS ERN1 2708/4885TRIM24 3661/4885TYR 2646/4885
US-20210040136-A1 SMALL MOLECULE DRUG CONJUGATES OF GEMCITABINE MONOPHOSPHATE ZYX, SLC7A5, GMPS ERN1 2775/4885TRIM24 3733/4885TYR 2639/4885

“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.