SCHEMBL5558666

SCHEMBL5558666

Cc1ccc(C(=S)n2c(C)c(C(C(=O)O)C3CCCC3)c3cc(O)c(F)cc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.33
MEN1 O00255 4/20 0.33
HTR1E P28566 1/20 0.33
S1PR3 Q99500 1/20 0.33
MGLL Q99685 2/20 0.32
EPHX2 P34913 1/20 0.32
SRD5A2 P31213 1/20 0.32
FAAH O00519 1/20 0.32
HSD11B1 P28845 1/20 0.31
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL6424118 0.98 KMT2A (0.33) KMT2AMEN1HTR1ES1PR3MGLL
SCHEMBL6426909 0.90 KMT2A (0.35) KMT2AMEN1HTR1ES1PR3MGLL
SCHEMBL6426755 0.89 HTR1E (0.33) KMT2AHTR1ES1PR3MGLLEPHX2
SCHEMBL6424892 0.89 LMNA (0.34) KMT2AMEN1MGLLEPHX2FAAH
SCHEMBL6427087 0.88 NR1H4 (0.36) KMT2ASRD5A2NPC1RAB9ASMN1; SMN2
SCHEMBL6427353 0.87 LMNA (0.32) KMT2AMEN1HTR1ES1PR3MGLL
SCHEMBL6424347 0.86 MAPK7 (0.35) KMT2ASRD5A2NPC1RAB9ASMN1; SMN2
SCHEMBL6423904 0.85 AKR1C3 (0.37) KMT2AMEN1MGLLEPHX2HSD11B1
SCHEMBL6424330 0.84 PTGS2 (0.34) MGLLLMNAMAPTHTT
SCHEMBL6424919 0.84 MEN1 (0.37) KMT2AMEN1MGLLFAAHHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 KMT2A 1519/4885MEN1 3824/4885HTR1E 374/4885

“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.