SCHEMBL6423140

SCHEMBL6423140

CCCC(C(=O)O)c1c(C)n(C(=S)c2ccc(C)cc2)c2cc(F)c(OC)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
PSIP1 O75475 3/20 0.34
HRH3 Q9Y5N1 2/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PLA2G4A P47712 1/20 0.32
LTB4R Q15722 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL5561844 0.95 TAS1R3 (0.35) TAS1R3TAS1R1PSIP1HRH3LMNA
SCHEMBL6425354 0.93 HRH3 (0.36) TAS1R3TAS1R1HRH3LMNAMAPK1
SCHEMBL6425884 0.91 PTGS2 (0.42) TAS1R3TAS1R1PTGS1PTGS2AKR1C3
SCHEMBL6422648 0.89 PTGS1 (0.45) TAS1R3TAS1R1PSIP1PTGS1PTGS2
SCHEMBL6424736 0.88 PSIP1 (0.36) PSIP1
SCHEMBL6424402 0.86 LMNA (0.37) HRH3LMNAMAPK1HTTRAB9A
SCHEMBL6422960 0.85 PTGS2 (0.41) TAS1R3TAS1R1PTGS1PTGS2AKR1C3
SCHEMBL6424812 0.85 AKR1C3 (0.45) TAS1R3TAS1R1PTGS1PTGS2AKR1C3
SCHEMBL6423870 0.84 HRH3 (0.35) TAS1R3TAS1R1HRH3LMNAMAPK1
SCHEMBL6422808 0.84 HRH3 (0.35) TAS1R3TAS1R1HRH3LMNAMAPK1

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 TAS1R3 4710/4885TAS1R1 4770/4885PSIP1 2842/4885

“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.