SCHEMBL25320411

SCHEMBL25320411

CC(CCCn1ccc2cc(Br)ccc2c1=O)NC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSMB1 P20618 5/20 0.47
▸ PSMB5 P28074 5/20 0.47
▸ NTSR1 P30989 1/20 0.42
▸ TNF P01375 7/20 0.41
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ RXFP1 Q9HBX9 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL25320408 1.00 PSMB1 (0.47) PSMB1PSMB5NTSR1TNFHDAC3
SCHEMBL25321476 0.86 PSMB1 (0.42) PSMB1PSMB5NTSR1TNFHDAC3
SCHEMBL25321479 0.86 PSMB1 (0.42) PSMB1PSMB5NTSR1TNFHDAC3
SCHEMBL30550799 0.86 PSMB1 (0.42) PSMB1PSMB5NTSR1TNFHDAC3
SCHEMBL25897715 0.81 HTR2A (0.49) PSMB1PSMB5NTSR1TNFHDAC3
SCHEMBL20786967 0.77 PSMB1 (0.47) PSMB1PSMB5NTSR1TNFEGLN1
SCHEMBL20786901 0.77 TNF (0.41) PSMB1PSMB5TNFHDAC3HDAC1
SCHEMBL20786928 0.77 HDAC3 (0.47) PSMB1PSMB5TNFHDAC3HDAC1
SCHEMBL1725380 0.74 TNF (0.39) PSMB1PSMB5TNFHDAC3HDAC1
SCHEMBL20808939 0.74 MAPK1 (0.51) PSMB1PSMB5TNFEGLN1

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-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 — — US disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 — — WO 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-20230365529-A1 PARP7 INHIBITORS PARP1, PARP11, PARP2 PSMB1 1952/4885PSMB5 1412/4885NTSR1 4438/4885

“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.

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