SCHEMBL6423716

SCHEMBL6423716

CCC[C@H](C(=O)O)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
SLC6A2 P23975 2/20 0.36
TSHR P16473 2/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
KMT2A Q03164 2/20 0.32
KMO O15229 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 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
SCHEMBL6425201 1.00 SLC6A4 (0.36) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6424227 0.94 TSHR (0.38) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6426412 0.94 TSHR (0.38) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6453105 0.94 AKR1C3 (0.33) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6426769 0.94 AKR1C3 (0.33) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6426833 0.94 TSHR (0.37) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6424173 0.92 AKR1C3 (0.35) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6422805 0.92 AKR1C3 (0.35) SLC6A4SLC6A3SLC6A2TSHRAKR1C3
SCHEMBL6423503 0.90 AKR1C3 (0.42) SLC6A3AKR1C3AKR1C2KMT2AMEN1
SCHEMBL6423322 0.90 AKR1C3 (0.34) AKR1C3AKR1C2KMT2AMEN1PTGS1

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 SLC6A4 1355/4885SLC6A3 3446/4885SLC6A2 1779/4885

“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.