SCHEMBL6427353

SCHEMBL6427353

Cc1ccc(C(=S)n2c(C)c(C(C(=O)O)C3CCC3)c3cc(O)c(Cl)cc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSP90AA1 P07900 6/20 0.32
HSP90AB1 P08238 6/20 0.32
MGLL Q99685 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR1E P28566 1/20 0.31
S1PR3 Q99500 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL6426755 0.98 HTR1E (0.33) LMNASMN1; SMN2HSP90AA1HSP90AB1MGLL
SCHEMBL6424495 0.90 PTGS2 (0.37) LMNAHSP90AA1HSP90AB1MGLLMAPT
SCHEMBL6424118 0.89 KMT2A (0.33) LMNAMGLLHTR1ES1PR3ALDH1A1
SCHEMBL6426919 0.89 PTGS2 (0.37) LMNAMGLLHTR1ES1PR3ALDH1A1
SCHEMBL6424446 0.88 PTGS1 (0.42) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL5558666 0.87 KMT2A (0.33) LMNASMN1; SMN2MGLLHTR1ES1PR3
SCHEMBL6424805 0.86 PTGS1 (0.42) LMNASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6423862 0.85 PTGS2 (0.43) LMNAMGLLMAPTKMT2AMEN1
SCHEMBL6425701 0.84 PTGS2 (0.39)
SCHEMBL5560858 0.83 PTGS2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 LMNA 3613/4885SMN1; SMN2 4408/4885HSP90AA1 1566/4885

“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.