SCHEMBL7102837

SCHEMBL7102837

C=C(c1cccc(NS(=O)(=O)CC(F)(F)F)c1)c1c[nH]cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
ADRB3 P13945 1/20 0.35
CYP17A1 P05093 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ADRA1A P35348 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
PGR P06401 1/20 0.32
GAA P10253 1/20 0.32
BRAF P15056 1/20 0.32
ADRA2A P08913 2/20 0.32

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
Maleic Acid SCHEMBL7105264 0.93 LRRK2 (0.35) LRRK2HSD17B1HSD17B2ADRB3CYP17A1
Fumaric Acid SCHEMBL7105274 0.93 LRRK2 (0.35) LRRK2HSD17B1HSD17B2ADRB3CYP17A1
SCHEMBL7099128 0.86 ADRA1A (0.45) LRRK2ALDH1A1ADRA1ACYP1A2CYP3A4
SCHEMBL7098761 0.82 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7098159 0.75 ADRA2A (0.45) LRRK2HSD17B1HSD17B2ADRB3CYP17A1
SCHEMBL7104797 0.74 ADRA1A (0.46) ALDH1A1ADRA1ACYP1A2CYP3A4CYP2D6
SCHEMBL7105270 0.73
SCHEMBL7102997 0.72 ALDH1A1 (0.44) ALDH1A1ADRA1ACYP1A2CYP3A4CYP2D6
SCHEMBL7098066 0.69 ADRA1A (0.44) LRRK2ALDH1A1ADRA1ACYP1A2CYP3A4
SCHEMBL7097710 0.69 ADRA1A (0.44) LRRK2ALDH1A1ADRA1ACYP1A2CYP3A4

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
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 claimed
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
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

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 LRRK2 4286/4885HSD17B1 2546/4885HSD17B2 3288/4885

“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.