SCHEMBL663350

SCHEMBL663350

CS(=O)(=O)CCc1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
LMNA P02545 1/20 0.45
PMP22 Q01453 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
IDO1 P14902 2/20 0.43
SIGMAR1 Q99720 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
THPO P40225 1/20 0.40
RAB9A P51151 1/20 0.40
HIF1A Q16665 1/20 0.40
MAPK14 Q16539 1/20 0.38
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK9 P50750 1/20 0.35
MGLL Q99685 1/20 0.35
HTR6 P50406 1/20 0.34

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
SCHEMBL6011613 0.81 LMNA (0.47) LMNAPMP22SMN1; SMN2IDO1SIGMAR1
SCHEMBL4978187 0.79 MAOA (0.57) PTGS2LMNASIGMAR1MAPK14
SCHEMBL9558772 0.78 TAAR1 (0.53) PTGS2SMN1; SMN2IDO1
SCHEMBL7808087 0.78 GRM2 (0.48) PTGS2SMN1; SMN2RAB9AHTR6
SCHEMBL2881422 0.77 IDO1 (0.43) LMNAPMP22SMN1; SMN2IDO1SIGMAR1
SCHEMBL16503565 0.76 PTGS2 (0.47) PTGS2SMN1; SMN2IDO1SIGMAR1CYP1A2
SCHEMBL515212 0.76 CA2 (0.53) PTGS2LMNAIDO1
SCHEMBL16414471 0.76 IDO1 (0.52) LMNAPMP22SMN1; SMN2IDO1SIGMAR1
SCHEMBL661751 0.75 PTGS2 (0.44) PTGS2SMN1; SMN2RAB9AMAPK14CCNT1
SCHEMBL13154826 0.75 PTGS2 (0.44) PTGS2CYP1A2CYP2C19RAB9AMAPK14

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-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 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 (2 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 PTGS2 763/4885LMNA 1559/4885PMP22 4707/4885
US-20090281103-A1 Renin Inhibitors REN, ACE, AGT PTGS2 943/4885LMNA 1587/4885PMP22 4229/4885

“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.