Elsulfavirine

Elsulfavirine

SCHEMBL1344216

CCC(=O)NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Br)c(Oc3cc(Cl)cc(C#N)c3)c2F)c(Cl)c1.[Na]

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 9/20 0.40
CA2 P00918 9/20 0.40
CA12 O43570 5/20 0.40
CA9 Q16790 5/20 0.40
CYP3A4 P08684 3/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
RORC P51449 3/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
PDK1 Q15118 2/20 0.33
PDK2 Q15119 2/20 0.33
PDK3 Q15120 2/20 0.33
PDK4 Q16654 2/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 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
Elsulfavirine SCHEMBL1341521 1.00 CA1 (0.40) CA1CA2CA12CA9CYP3A4
Elsulfavirine SCHEMBL1344214 0.99 CA1 (0.39) CA1CA2CA12CA9CYP3A4
SCHEMBL24371887 0.93 CA1 (0.40) CA1CA2CA12CA9CYP3A4
SCHEMBL2638424 0.93 CYP3A4 (0.43) CA1CA2CA12CA9CYP3A4
SCHEMBL2638432 0.92 CYP3A4 (0.46) CA1CA2CA12CA9CYP3A4
SCHEMBL12132127 0.89 CA1 (0.44) CA1CA2CA12CA9THRA
Depulfavirine SCHEMBL2638090 0.89 CA1 (0.52) CA1CA2CA12CA9CA5A
Depulfavirine SCHEMBL29421868 0.89 CA1 (0.52) CA1CA2CA12CA9CA5A
SCHEMBL3937009 0.88 SLC22A12 (0.39) CA1CA2CA12THRATHRB
SCHEMBL2639193 0.88 CYP3A4 (0.42) CA1CA2CA12CA9CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2023082131-A Polymorphs of acyl sulfonamides エフ. ホフマン-ラ ロシュ アーゲー 2023-06-13 JP disclosed
EP-2334638-B1 POLYMORPHS OF ACYL SULFONAMIDES HOFFMANN LA ROCHE (CH) 2018-11-21 EP disclosed
EP-2846788-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN Akron Molecules AG (AT) 2015-03-18 EP disclosed
WO-2013167743-A1 USE OF COMPOUNDS FOR THE TREATMENT OF PAIN AKRON MOLECULES GMBH (AT) 2013-11-14 WO disclosed
US-8063103-B2 Polymorphs of acyl sulfonamides ROCHE PALO ALTO LLC (US) 2011-11-22 US disclosed
EP-2334638-A2 POLYMORPHS OF ACYL SULFONAMIDES F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
WO-2010028968-A2 POLYMORPHS OF ACYL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-18 WO disclosed
US-20100063154-A1 POLYMORPHS OF ACYL SULFONAMIDES ROCHE PALO ALTO LLC 2010-03-11 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 (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-20100063154-A1 POLYMORPHS OF ACYL SULFONAMIDES ARSA, AADAC, SULT2A1 CA1 4005/4885CA2 1587/4885CA12 1480/4885

“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.