SCHEMBL6424347

SCHEMBL6424347

COc1cc2c(C(C(=O)O)C3CCC3)c(C)n(C(=S)c3ccc(C)cc3)c2cc1F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SRD5A2 P31213 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6427087 0.98 NR1H4 (0.36) MAPK7NR1H4KMT2AALDH1A1RAB9A
SCHEMBL6425909 0.91 PTGS2 (0.39) MAPK7NR1H4ALDH1A1L3MBTL1LMNA
SCHEMBL6424446 0.89 PTGS1 (0.42) MAPK7KMT2AALDH1A1RAB9ANPC1
SCHEMBL6426648 0.89 PTGS2 (0.39) MAPK7NR1H4ALDH1A1LMNA
SCHEMBL6424118 0.88 KMT2A (0.33) KMT2AALDH1A1LMNAHTTMAPT
SCHEMBL6424805 0.88 PTGS1 (0.42) MAPK7KMT2AALDH1A1RAB9ANPC1
SCHEMBL5558666 0.86 KMT2A (0.33) KMT2AALDH1A1RAB9ANPC1SRD5A2
SCHEMBL6423785 0.85 AKR1C3 (0.41) MAPK7NR1H4KMT2AALDH1A1SMN1; SMN2
SCHEMBL6424402 0.85 LMNA (0.37) KMT2ARAB9AHRH3LMNAMAPK1
SCHEMBL6425557 0.84 LMNA (0.35) KMT2ARAB9AHRH3LMNAMAPK1

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 MAPK7 2506/4885NR1H4 1725/4885KMT2A 1519/4885

“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.