SCHEMBL6424686

SCHEMBL6424686

COc1cc2c(C(C(=O)O)C(C)(C)C)c(C)n(C(=S)c3ccc(C)cc3)c2cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
PLA2G2A P14555 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
RAB9A P51151 1/20 0.32
PHGDH O43175 1/20 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
SCHEMBL6425519 0.90 PTGS2 (0.55) PTGS1PTGS2TAS1R3TAS1R1KMT2A
SCHEMBL6425829 0.89 RAB9A (0.34) PTGS1PTGS2KMT2AGAAAKR1C3
SCHEMBL6423732 0.88 PTGS2 (0.47) PTGS1PTGS2TAS1R3TAS1R1ALDH1A1
SCHEMBL6427391 0.87 PTGS2 (0.45) PTGS1PTGS2TAS1R3TAS1R1ALDH1A1
SCHEMBL6425703 0.87 BCL2 (0.32) PTGS1PTGS2
SCHEMBL6424670 0.85 PTGS2 (0.46) PTGS1PTGS2TAS1R3TAS1R1ALDH1A1
SCHEMBL5561152 0.84 PTGS2 (0.63) PTGS1PTGS2KMT2AAKR1C3AKR1C2
SCHEMBL6425491 0.83 PTGS2 (0.53) PTGS1PTGS2PLA2G2A
SCHEMBL5797328 0.83 PTGS1 (0.69) PTGS1PTGS2KMT2AAKR1C3AKR1C2
SCHEMBL6422648 0.83 PTGS1 (0.45) PTGS1PTGS2TAS1R3TAS1R1ALDH1A1

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 PTGS1 7/4885PTGS2 4/4885TAS1R3 4710/4885

“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.