SCHEMBL6423732

SCHEMBL6423732

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.47
PTGS1 P23219 3/20 0.47
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PHGDH O43175 1/20 0.35
KMT2A Q03164 1/20 0.34

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
SCHEMBL6427391 0.91 PTGS2 (0.45) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6424840 0.89 PTGS2 (0.59) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6424686 0.88 PTGS1 (0.44) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6424670 0.88 PTGS2 (0.46) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6425700 0.88 PTGS2 (0.44) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6426006 0.88 PTGS2 (0.44) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6427633 0.88 PTGS2 (0.44) PTGS2PTGS1TAS1R3TAS1R1AKR1C3
SCHEMBL6424402 0.88 LMNA (0.37) PTGS2PTGS1AKR1C3AKR1C2KMT2A
SCHEMBL6422648 0.86 PTGS1 (0.45) PTGS2PTGS1TAS1R3TAS1R1ALDH1A1
SCHEMBL6425701 0.86 PTGS2 (0.39) PTGS2PTGS1

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 PTGS2 4/4885PTGS1 7/4885TAS1R3 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.