SCHEMBL23787103

SCHEMBL23787103

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1F

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.66
BRD2 P25440 4/20 0.60
BRD3 Q15059 3/20 0.54
BRDT Q58F21 3/20 0.54
POLB P06746 1/20 0.52
EPHX2 P34913 5/20 0.50
HCRTR1 O43613 2/20 0.50
HCRTR2 O43614 2/20 0.50
ALDH1A1 P00352 1/20 0.49
DGAT1 O75907 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL20291003 0.90 BRD4 (0.60) BRD4BRD2BRD3BRDTPOLB
SCHEMBL30599699 0.90 BRD4 (0.60) BRD4BRD2BRD3BRDTPOLB
SCHEMBL20291400 0.89 BRD4 (0.80) BRD4BRD2BRD3BRDTPOLB
SCHEMBL23787095 0.89 BRD4 (0.80) BRD4BRD2BRD3BRDTPOLB
SCHEMBL3084064 0.84 LMNA (0.55) BRD4ALDH1A1DGAT1CA12CA1
SCHEMBL23787106 0.82 BRD4 (0.72) BRD4BRD2BRD3BRDTPOLB
SCHEMBL20271460 0.80 ALDH1A1 (0.67) BRD4BRD2ALDH1A1MAPTTHRB
SCHEMBL2705750 0.80 BRD4 (0.65) BRD4BRD2BRD3BRDTHCRTR1
SCHEMBL2705744 0.80 BRD4 (0.65) BRD4BRD2BRD3BRDTHCRTR1
SCHEMBL21378124 0.79 BRD4 (1.00) BRD4BRD2BRD3BRDTPOLB

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
EP-3554503-B1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) UNIV TEXAS (US) 2023-10-04 EP disclosed
US-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-09-14 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-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BRD4, NFKBIA, NFRKB BRD4 1/4885BRD2 12/4885BRD3 6/4885

“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.