SCHEMBL2426921

SCHEMBL2426921

CCCCCCCCSc1cccc2c1C(=O)NC2=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 9/20 0.45
▸ PTGS2 P35354 3/20 0.44
▸ P4HB P07237 1/20 0.43
▸ GAA P10253 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYSLTR2 Q9NS75 1/20 0.40
▸ CYSLTR1 Q9Y271 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.40
▸ G6PD P11413 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ EPHX2 P34913 1/20 0.38

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
SCHEMBL7747518 1.00 SOAT1 (0.45) SOAT1PTGS2P4HBGAASMN1; SMN2
SCHEMBL11588296 0.94 SOAT1 (0.42) SOAT1PTGS2P4HBGAASMN1; SMN2
Formamide SCHEMBL28145518 0.94 SOAT1 (0.40) SOAT1PTGS2P4HBGAASMN1; SMN2
SCHEMBL10335607 0.88 ALDH1A1 (0.42) SOAT1PTGS2P4HBGAAMEN1
SCHEMBL7855715 0.82 SOAT1 (0.52) SOAT1PTGS2P4HBCYSLTR2CYSLTR1
SCHEMBL21111964 0.82 KDM4E (0.44) SOAT1GAAMEN1MAPTKMT2A
SCHEMBL30609814 0.79 KDM4E (0.45) GAASMN1; SMN2MEN1MAPTKMT2A
SCHEMBL11604127 0.79 GSK3B (0.39) GAAMEN1MAPTKMT2AKDM4E
SCHEMBL23388947 0.78 SOAT1 (0.56) SOAT1PTGS2P4HBMEN1MAPT
SCHEMBL29886439 0.78 SOAT1 (0.56) SOAT1PTGS2P4HBMEN1MAPT

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
US-8697447-B2 Cleavable surfactants and methods of use thereof VANDERBILT UNIVERSITY (US) 2014-04-15 — — US disclosed
US-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY 2011-09-08 — — US disclosed
EP-1404643-A4 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF UNIV VANDERBILT (US) 2008-05-07 — — EP disclosed
US-20060240562-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF CAPRIOLI RICHARD M 2006-10-26 — — US disclosed
US-7074936-B2 Cleavable surfactants and methods of use thereof VANDERBILT UNIVERSITY (US) 2006-07-11 — — US disclosed
US-20040152913-A1 Cleavable surfactants and methods of use thereof VANDERBILT UNIVERSITY 2004-08-05 — — US disclosed
EP-1404643-A2 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY (US) 2004-04-07 — — EP disclosed
WO-2002097393-A2 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF VANDERBILT UNIVERSITY (US) 2002-12-05 — — 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 (3 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-20110217783-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF PHOSPHO1, SGMS1, SGMS2 SOAT1 2659/4885PTGS2 4150/4885P4HB 760/4885
US-20060240562-A1 CLEAVABLE SURFACTANTS AND METHODS OF USE THEREOF ADAM33, ADAM17, TMPRSS15 SOAT1 3464/4885PTGS2 4110/4885P4HB 267/4885
US-20040152913-A1 Cleavable surfactants and methods of use thereof ADAM33, ADAM17, TMPRSS15 SOAT1 3464/4885PTGS2 4110/4885P4HB 267/4885

“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.

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