SCHEMBL6424446

SCHEMBL6424446

COc1cc2c(C(C(=O)O)C3CCC3)c(C)n(C(=S)c3ccc(C)cc3)c2cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
MAPK7 Q13164 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RAB9A P51151 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6424805 0.98 PTGS1 (0.42) PTGS1PTGS2MAPK7ALDH1A1KMT2A
SCHEMBL6425755 0.91 PTGS2 (0.52) PTGS1PTGS2MAPK7ALDH1A1KMT2A
SCHEMBL6424347 0.89 MAPK7 (0.35) MAPK7ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL6424257 0.89 PTGS2 (0.52) PTGS1PTGS2MAPK7ALDH1A1KMT2A
SCHEMBL6427353 0.88 LMNA (0.32) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL6427087 0.88 NR1H4 (0.36) MAPK7ALDH1A1KMT2ARAB9ASMN1; SMN2
SCHEMBL6426755 0.86 HTR1E (0.33) KMT2ARAB9ASMN1; SMN2NPC1HPGD
SCHEMBL6423345 0.85 PTGS2 (0.59) PTGS1PTGS2KMT2ARAB9AMEN1
SCHEMBL6423732 0.85 PTGS2 (0.47) PTGS1PTGS2ALDH1A1KMT2ATAS1R3
SCHEMBL6427391 0.84 PTGS2 (0.45) PTGS1PTGS2ALDH1A1KMT2ATAS1R3

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 4/4885MAPK7 2506/4885

“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.