SCHEMBL31370508

SCHEMBL31370508

COc1cccc(-c2ccc3c(Br)cn(C(=O)OC(C)(C)C)c3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
SERPINE1 P05121 1/20 0.40
JAK2 O60674 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
LRRK2 Q5S007 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
ABL2 P42684 1/20 0.37
ICMT O60725 1/20 0.37
DCLK1 O15075 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
PIM1 P11309 1/20 0.37
CSNK1D P48730 1/20 0.37

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
SCHEMBL31370706 0.90 GPR119 (0.40) HDAC8HDAC4HDAC1HDAC2HDAC6
SCHEMBL31370675 0.87 L3MBTL1 (0.42) BRD4SERPINE1PIM1
SCHEMBL31370660 0.87 HTR6 (0.40) HDAC1HDAC2HDAC6
SCHEMBL124286 0.81 HDAC2 (0.41) SERPINE1HDAC1HDAC2
SCHEMBL29992656 0.80 AKR1C3 (0.47)
SCHEMBL1357445 0.80 AKR1C3 (0.47)
SCHEMBL29992688 0.80 AKR1C3 (0.47)
SCHEMBL31370424 0.79 L3MBTL1 (0.44) BRD4JAK2ICMTPIM1
SCHEMBL19643638 0.78 GSK3B (0.47) BRD4LRRK2
SCHEMBL23330894 0.77 L3MBTL1 (0.43) BRD4PIM1

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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 BRD4 2122/4885SERPINE1 1748/4885JAK2 2666/4885

“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.