SCHEMBL24296992

SCHEMBL24296992

NCCOCCNC(=O)CCOCC(COCCC(=O)NCCOCCN)NC(=O)CCOCCOCCOCCOCCN

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.36
CA12 O43570 4/20 0.36
CA1 P00915 4/20 0.36
CA4 P22748 4/20 0.36
CA9 Q16790 4/20 0.36
CA14 Q9ULX7 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TLR2 O60603 3/20 0.34
PLA2G2C Q5R387 1/20 0.33
ADRB2 P07550 1/20 0.32
HTR1A P08908 1/20 0.32
GLP1R P43220 8/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL24297327 1.00 CA2 (0.36) CA2CA12CA1CA4CA9
SCHEMBL24297162 0.91 ADRB2 (0.38) CA2CA12CA1CA4CA9
SCHEMBL24712359 0.90 TSHR (0.33) CA2CA12CA1CA4CA9
SCHEMBL24296991 0.88 CRBN (0.33) CA2CA12CA1CA4CA9
SCHEMBL24296994 0.88 CRBN (0.33) CA2CA12CA1CA4CA9
SCHEMBL24297328 0.88 CRBN (0.33) CA2CA12CA1CA4CA9
SCHEMBL24452681 0.86 MEN1 (0.39) CA2CA12CA1CA4CA9
SCHEMBL20904578 0.86 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL14575431 0.86 CA2 (0.44) CA2CA12CA1CA4CA9
SCHEMBL19594069 0.86 CA2 (0.44) CA2CA12CA1CA4CA9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220072141-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2022-03-10 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 (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-20220072141-A1 PROTEIN-DRUG CONJUGATES COMPRISING CAMPTOTHECIN ANALOGS AND METHODS OF USE THEREOF TGM2, QPCT, TGM3 CA2 1524/4885CA12 1874/4885CA1 949/4885

“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.