SCHEMBL21397837

SCHEMBL21397837

O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.85
HCRTR1 O43613 3/20 0.67
HCRTR2 O43614 3/20 0.67
POLB P06746 1/20 0.61
TSHR P16473 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MMP2 P08253 2/20 0.61
MMP9 P14780 2/20 0.61
MAPK1 P28482 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TRPV4 Q9HBA0 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
HTT P42858 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
BRD2 P25440 1/20 0.57
PLAU P00749 1/20 0.56

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
SCHEMBL21378124 0.92 BRD4 (1.00) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL21397757 0.92 BRD4 (1.00) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL20291038 0.92 BRD4 (1.00) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL21397842 0.86 BRD4 (0.72) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL21397838 0.85 BRD4 (0.76) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL21397841 0.85 BRD4 (0.70) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL21397807 0.84 BRD4 (0.86) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL2709244 0.82 BRD4 (0.71) BRD4HCRTR1HCRTR2TSHRALDH1A1
SCHEMBL23787095 0.81 BRD4 (0.80) BRD4HCRTR1HCRTR2POLBTSHR
SCHEMBL20291400 0.81 BRD4 (0.80) BRD4HCRTR1HCRTR2POLBTSHR

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-10975059-B2 Small molecule BRD4 modulators for HIV epigenetic regulation THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-13 US disclosed
US-20190292168-A1 NOVEL SMALL MOLECULE BRD4 MODULATORS FOR HIV EPIGENETIC REGULATION THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-09-26 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 (2 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-10975059-B2 Small molecule BRD4 modulators for HIV epigenetic regulation BRD4, BICRA, BRD3 BRD4 1/4885HCRTR1 2820/4885HCRTR2 2899/4885
US-20190292168-A1 NOVEL SMALL MOLECULE BRD4 MODULATORS FOR HIV EPIGENETIC REGULATION BRD4, BICRA, BRD3 BRD4 1/4885HCRTR1 2810/4885HCRTR2 2933/4885

“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.