SCHEMBL8205213

SCHEMBL8205213

CS(=O)(=O)OCCCn1c2ccccc2c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PER2 O15055 2/20 0.49
FABP4 P15090 2/20 0.49
FABP5 Q01469 2/20 0.49
GRIN1 Q05586 8/20 0.48
GRIN2A Q12879 8/20 0.48
GRIN2B Q13224 8/20 0.48
MAOA P21397 6/20 0.48
MAOB P27338 6/20 0.48
ACHE P22303 2/20 0.48
SIGMAR1 Q99720 3/20 0.47
PGR P06401 1/20 0.46
RORA P35398 1/20 0.46
RORC P51449 1/20 0.46
RORB Q92753 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL11709456 0.90 MEN1 (0.50) PER2FABP4FABP5GRIN1GRIN2A
SCHEMBL7310378 0.80 PARP1 (0.46) PGRRORARORCRORBALDH1A1
SCHEMBL5658778 0.78 CA12 (0.45) ALDH1A1MEN1TP53CYP1A2CYP3A4
SCHEMBL29941758 0.78 ALDH1A1 (0.64) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL10090172 0.78 ALDH1A1 (0.64) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL11195247 0.77 POLB (0.65) ALDH1A1MEN1CYP1A2TSHRMAPK1
SCHEMBL5637077 0.75 HTR2A (0.54) MEN1TP53HTR2AKMT2AHDAC1
SCHEMBL4552481 0.74 FABP4 (0.68) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL4552166 0.74 FABP4 (0.64) FABP4FABP5GRIN1GRIN2AGRIN2B
SCHEMBL8209253 0.74 FABP4 (0.51) FABP4FABP5GRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130236416-A1 SURFACE MODIFIED COLLOIDAL PARTICLES CLEMSON UNIVERSITY (US) 2013-09-12 US disclosed
US-20130236416-A1 SURFACE MODIFIED COLLOIDAL PARTICLES CLEMSON UNIVERSITY (US) 2013-09-12 US disclosed
US-20100292249-A1 MANUFACTURE OF RIMCAZOLE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-11-18 US disclosed
US-20100292249-A1 MANUFACTURE OF RIMCAZOLE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2010-11-18 US disclosed
WO-2008040950-A1 MANUFACTURE OF RIMCAZOLE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 2008-04-10 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-20100292249-A1 MANUFACTURE OF RIMCAZOLE P2RX5, CYP3A5, ADRA2C PER2 3573/4885FABP4 3133/4885FABP5 2341/4885

“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.