SCHEMBL6422611

SCHEMBL6422611

Cc1c([C@H](CC(C)C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAPK1 P28482 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
NOTUM Q6P988 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
SCHEMBL6424019 0.92 MEN1 (0.37) ELANEMEN1KMT2AALDH1A1POLB
SCHEMBL6424558 0.92 MEN1 (0.37) ELANEMEN1KMT2AALDH1A1POLB
SCHEMBL6424942 0.92 AKR1C3 (0.36) ELANEALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL6427423 0.91 MEN1 (0.39) ELANEMEN1KMT2AALDH1A1POLB
SCHEMBL6423695 0.91 MEN1 (0.39) ELANEMEN1KMT2AALDH1A1POLB
SCHEMBL6423971 0.90 AKR1C3 (0.42) MEN1KMT2AKDM4ELMNAAKR1C3
SCHEMBL6426057 0.90 AKR1C3 (0.34) MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6425499 0.89 MEN1 (0.36) ELANEMEN1KMT2AALDH1A1POLB
SCHEMBL6423399 0.89 MEN1 (0.36) ELANEMEN1KMT2AALDH1A1POLB
SCHEMBL6425694 0.89 CNR1 (0.35) ELANEMEN1KMT2APOLBCNR1

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 ELANE 2781/4885MEN1 3824/4885KMT2A 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.