SCHEMBL20291390

SCHEMBL20291390

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
TSHR P16473 4/20 0.65
L3MBTL1 Q9Y468 2/20 0.61
THRB P10828 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 1/20 0.57
HCRTR1 O43613 3/20 0.56
HCRTR2 O43614 3/20 0.56
BRD4 O60885 1/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 2/20 0.55
LMNA P02545 2/20 0.55
KMT2A Q03164 1/20 0.54
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
NPSR1 Q6W5P4 1/20 0.53
HTT P42858 1/20 0.53

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
SCHEMBL21442025 0.92 LMNA (0.62) ALDH1A1TSHRL3MBTL1THRBSMN1; SMN2
SCHEMBL20291414 0.90 BRD4 (0.66) ALDH1A1TSHRL3MBTL1SMN1; SMN2MAPT
SCHEMBL20291408 0.90 ALDH1A1 (0.58) ALDH1A1TSHRL3MBTL1SMN1; SMN2HCRTR1
SCHEMBL20291410 0.89 ALDH1A1 (0.69) ALDH1A1TSHRSMN1; SMN2HCRTR1HCRTR2
SCHEMBL20271460 0.88 ALDH1A1 (0.67) ALDH1A1TSHRL3MBTL1THRBSMN1; SMN2
SCHEMBL20291072 0.88 BRD4 (0.73) ALDH1A1TSHRSMN1; SMN2HCRTR1HCRTR2
SCHEMBL20291277 0.87 BRD4 (0.57) ALDH1A1TSHRL3MBTL1SMN1; SMN2HCRTR1
SCHEMBL20291227 0.83 HCRTR1 (0.55) ALDH1A1TSHRHCRTR1HCRTR2BRD4
SCHEMBL20291205 0.83 HCRTR1 (0.71) TSHRSMN1; SMN2MAPTHCRTR1HCRTR2
SCHEMBL30599698 0.83 HCRTR1 (0.71) TSHRSMN1; SMN2MAPTHCRTR1HCRTR2

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 4 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
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
WO-2018112037-A1 INHIBITORS OF BROMODOMAIN-CONTAINING PROTEIN 4 (BRD4) ZHOU JIA (US) 2018-06-21 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-11117865-B2 Inhibitors of bromodomain-containing protein 4 (BRD4) BRD4, NFKBIA, NFRKB ALDH1A1 4628/4885TSHR 4154/4885L3MBTL1 1519/4885

“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.