SCHEMBL6426701

SCHEMBL6426701

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

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 3/20 0.33
IGFBP3 P17936 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PLAU P00749 1/20 0.30
HPN P05981 1/20 0.30
BCL2L1 Q07817 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
SCHEMBL6424736 0.94 PSIP1 (0.36) PSIP1KDM4EALDH1A1
SCHEMBL6425777 0.90 AKR1C3 (0.36) PSIP1
SCHEMBL6424213 0.90 AKR1C3 (0.35) KDM4EALDH1A1
SCHEMBL6425858 0.89 PSIP1 (0.33) PSIP1KDM4EALDH1A1
SCHEMBL5561844 0.88 TAS1R3 (0.35) PSIP1
SCHEMBL6424316 0.85 AKR1C3 (0.39)
SCHEMBL6425699 0.84 AKR1C3 (0.37) PSIP1
SCHEMBL6424330 0.84 PTGS2 (0.34) IGFBP3
SCHEMBL6425911 0.84 AKR1C3 (0.34) IGFBP3
SCHEMBL6424583 0.84 AKR1C3 (0.34) IGFBP3

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 2842/4885IGFBP3 4336/4885KDM4E 2209/4885

“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.