SCHEMBL5422503

SCHEMBL5422503

CC(I)c1ccccc1Sc1ccccc1C(C)I

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
P4HB P07237 1/20 0.32
TSHR P16473 2/20 0.31
FAAH O00519 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
PTGS1 P23219 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2C P28335 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL30389926 0.80 GABRA1 (0.48) GABRA1GABRB2TSHRFAAHCA1
SCHEMBL4808650 0.80 GABRA1 (0.48) GABRA1GABRB2TSHRFAAHCA1
SCHEMBL2857445 0.79 GABRA1 (0.43) GABRA1GABRB2TSHRFAAHCA1
SCHEMBL588784 0.76 GABRA1 (0.39) GABRA1GABRB2P4HBTSHRFAAH
SCHEMBL587834 0.76 GABRA1 (0.34) GABRA1GABRB2P4HBTSHRFAAH
SCHEMBL4143745 0.76 P2RX7 (0.37) GABRA1GABRB2P4HBTSHRFAAH
SCHEMBL19286993 0.72 GABRA1 (0.50) GABRA1GABRB2TSHRFAAHCA1
SCHEMBL4800273 0.71 HTR1A (0.41) GABRA1GABRB2TSHRFAAHCA1
SCHEMBL3911665 0.70 TSHR (0.38) TSHR
SCHEMBL28320958 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2007-03-01 US disclosed
EP-1383748-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-01-28 EP disclosed
WO-2002051983-A2 NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-07-04 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-20070049594-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE GABRA1 4432/4885GABRB2 4016/4885P4HB 3097/4885

“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.