SCHEMBL20291395

SCHEMBL20291395

COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NC(=O)Nc2ccc(C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.56
HCRTR2 O43614 12/20 0.56
BRD4 O60885 3/20 0.55
MAPT P10636 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
BRD2 P25440 2/20 0.52
ALDH1A1 P00352 1/20 0.48
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP3 P42574 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
SCHEMBL20291227 0.90 HCRTR1 (0.55) HCRTR1HCRTR2BRD4BRD2ALDH1A1
SCHEMBL23787099 0.90 BRD4 (0.60) HCRTR1HCRTR2BRD4MAPTTHRB
SCHEMBL20291072 0.85 BRD4 (0.73) HCRTR1HCRTR2BRD4SMN1; SMN2BRD2
SCHEMBL20291205 0.84 HCRTR1 (0.71) HCRTR1HCRTR2BRD4MAPTSMN1; SMN2
SCHEMBL30599698 0.84 HCRTR1 (0.71) HCRTR1HCRTR2BRD4MAPTSMN1; SMN2
SCHEMBL20291390 0.82 ALDH1A1 (0.65) HCRTR1HCRTR2BRD4MAPTTHRB
SCHEMBL20291277 0.82 BRD4 (0.57) HCRTR1HCRTR2BRD4SMN1; SMN2BRD2
SCHEMBL20291414 0.81 BRD4 (0.66) HCRTR1HCRTR2BRD4MAPTSMN1; SMN2
SCHEMBL20291408 0.81 ALDH1A1 (0.58) HCRTR1HCRTR2BRD4SMN1; SMN2BRD2
SCHEMBL23787086 0.80 BRD4 (0.60) HCRTR1HCRTR2BRD4MAPTTHRB

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 HCRTR1 2844/4885HCRTR2 3198/4885BRD4 1/4885

“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.