SCHEMBL6424736

SCHEMBL6424736

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 5/20 0.36
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SLC6A3 Q01959 3/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 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
SCHEMBL6426701 0.94 PSIP1 (0.33) PSIP1KDM4EALDH1A1
SCHEMBL6424213 0.92 AKR1C3 (0.35) KDM4EALDH1A1
SCHEMBL6425699 0.90 AKR1C3 (0.37) PSIP1
SCHEMBL5560478 0.88 PSIP1 (0.36) PSIP1KDM4EALDH1A1SLC6A3SLC6A2
SCHEMBL6423140 0.88 TAS1R3 (0.38) PSIP1
SCHEMBL6424330 0.86 PTGS2 (0.34)
SCHEMBL6425777 0.84 AKR1C3 (0.36) PSIP1
SCHEMBL6423408 0.84 AKR1C3 (0.40) ALDH1A1SLC6A3SLC6A2
SCHEMBL6425587 0.83 CA1 (0.30)
SCHEMBL6423242 0.83 CA1 (0.30)

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 PSIP1 2842/4885KDM4E 2209/4885ALDH1A1 630/4885

“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.