SCHEMBL25318628

SCHEMBL25318628

CC(C)(CCCn1ccc2cc(Br)c(F)cc2c1=O)NC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 9/20 0.41
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ PSMB1 P20618 2/20 0.36
▸ PSMB5 P28074 2/20 0.36
▸ DUT P33316 1/20 0.34

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
SCHEMBL30550878 0.88 TNF (0.42) TNFHDAC3HDAC1HDAC6PSMB1
SCHEMBL25319011 0.81 TNF (0.37) TNFHDAC3HDAC1HDAC6PSMB1
SCHEMBL25320868 0.79 TNF (0.49) TNFHDAC3HDAC1HDAC6PSMB1
SCHEMBL25899461 0.78 TNF (0.56) TNFHDAC3HDAC1HDAC6PSMB1
SCHEMBL25321729 0.77 TNF (0.43) TNFHDAC3HDAC1HDAC6PSMB1
SCHEMBL25324896 0.76 PSMB1 (0.41) TNFHDAC3HDAC1HDAC6PSMB1
SCHEMBL25320458 0.75 PTPN1 (0.38) TNFPSMB1PSMB5
SCHEMBL25320463 0.75 PTPN1 (0.38) TNFPSMB1PSMB5
SCHEMBL25901429 0.73 HDAC3 (0.36) TNFHDAC3HDAC1HDAC6PSMB1
SCHEMBL25899466 0.73 TNF (0.39) TNFHDAC3HDAC1HDAC6PSMB1

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 TNF 4831/4885HDAC3 83/4885HDAC1 106/4885

“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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