SCHEMBL6423915

SCHEMBL6423915

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ELANE P08246 1/20 0.32
CYP2B6 P20813 1/20 0.32
NOTUM Q6P988 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
ITGA5 P08648 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 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
SCHEMBL6425577 0.92 AKR1C3 (0.38) ALDH1A1AKR1C3AKR1C2SMN1; SMN2LMNA
SCHEMBL6423695 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL6427423 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL6426001 0.90 AKR1C3 (0.34) MEN1KMT2AAKR1C3AKR1C2CHRNA1
SCHEMBL6423091 0.90 AKR1C3 (0.42) MEN1KMT2AAKR1C3AKR1C2KDM4E
SCHEMBL6423892 0.89 AKR1C3 (0.35) MEN1KMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL6425759 0.88 AKR1C3 (0.33) AKR1C3AKR1C2NOTUMKCNH2
SCHEMBL6465234 0.88 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL6422611 0.88 ELANE (0.35) MEN1KMT2AALDH1A1AKR1C3AKR1C2
SCHEMBL6423399 0.88 MEN1 (0.36) MEN1KMT2AALDH1A1AKR1C3AKR1C2

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 MEN1 3824/4885KMT2A 1519/4885ALDH1A1 630/4885

“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.