SCHEMBL6424524

SCHEMBL6424524

CCC(C(=O)O)c1c(C)n(C(=S)c2ccc(C)cc2)c2cc(Cl)c(O)cc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
PTGS2 P35354 6/20 0.32
PTGS1 P23219 2/20 0.32
PLA2G2A P14555 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
HSP90AA1 P07900 2/20 0.31
PDK1 Q15118 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 2/20 0.30
MEN1 O00255 1/20 0.30
PLA2G1B P04054 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
XBP1 P17861 1/20 0.30
ALOX12 P18054 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
KCNH2 Q12809 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
SCHEMBL5560478 0.92 PSIP1 (0.36) POLBPTGS2PTGS1KDM4EALDH1A1
SCHEMBL6425858 0.90 PSIP1 (0.33) POLBPTGS2PTGS1KDM4EALDH1A1
SCHEMBL6424385 0.90 PTGS2 (0.41) PTGS2PTGS1LMNAMAPTHTT
SCHEMBL6424213 0.88 AKR1C3 (0.35) POLBKDM4EALDH1A1LMNAHSD17B10
SCHEMBL6425701 0.87 PTGS2 (0.39) PTGS2PTGS1CA1CA2
SCHEMBL5558576 0.87 CA1 (0.36) PTGS2PTGS1CA1CA2
SCHEMBL6426702 0.87 CA1 (0.36) PTGS2PTGS1CA1CA2
SCHEMBL6425847 0.87 CA1 (0.36) PTGS2PTGS1CA1CA2
SCHEMBL6424670 0.87 PTGS2 (0.46) PTGS2PTGS1PLA2G2AALDH1A1LMNA
SCHEMBL5560858 0.84 PTGS2 (0.33) PTGS2PTGS1CA1CA2

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 POLB 1611/4885PTGS2 4/4885PTGS1 7/4885

“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.