SCHEMBL7102388

SCHEMBL7102388

CCS(=O)(=O)Nc1ccc(Cl)c2c1CCCC2=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.38
BRD4 O60885 8/20 0.37
ADRA2A P08913 1/20 0.37
PSIP1 O75475 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BRD9 Q9H8M2 2/20 0.35
BRDT Q58F21 1/20 0.35
BRD7 Q9NPI1 1/20 0.35

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
SCHEMBL7098540 0.86 BRD4 (0.40) BRD4ADRA2AHPGDHSD17B10BRD9
SCHEMBL7098664 0.71 BRD4 (0.43) BRD4HPGDHSD17B10BRDT
SCHEMBL28735295 0.70 PTGES2 (0.43) PTGES2ADRA2ALMNAHPGD
SCHEMBL31104321 0.67 BRD4 (0.40) BRD4LMNABRD9BRDTBRD7
SCHEMBL7103532 0.67 BRD4 (0.43) BRD4LMNABRD9BRDTBRD7
SCHEMBL2370165 0.67 KDM4E (0.45) BRD4LMNAHSD17B10BRD9BRDT
SCHEMBL6686475 0.67 BRD4 (0.42) BRD4LMNAHPGDHSD17B10BRD9
SCHEMBL7104848 0.67 ADRA2A (0.33) BRD4ADRA2A
SCHEMBL7410003 0.67 ALDH1A1 (0.59) BRD4LMNAHPGD
SCHEMBL7149178 0.67 BRD4 (0.34) BRD4LMNAHPGDHSD17B10BRD9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ABBOTT LABORATORIES 2003-04-17 US disclosed
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US disclosed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 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-20030073850-A1 4-Imidazole derivatives of benzyl and restricted benzyl sulfonamides, sulfamides, ureas, carbamates, and amides and their use ADRA1D, ADRB1, ADRA1A PTGES2 2445/4885BRD4 26/4885ADRA2A 8/4885

“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.