SCHEMBL6425636

SCHEMBL6425636

CCC(C)[C@H](C(=O)O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
ELANE P08246 1/20 0.34
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
HPGD P15428 2/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL6424841 1.00 MEN1 (0.38) MEN1KMT2APOLBELANEALDH1A1
SCHEMBL6424842 1.00 MEN1 (0.38) MEN1KMT2APOLBELANEALDH1A1
SCHEMBL6425641 1.00 MEN1 (0.38) MEN1KMT2APOLBELANEALDH1A1
SCHEMBL6424857 1.00 MEN1 (0.38) MEN1KMT2APOLBELANEALDH1A1
SCHEMBL6423301 0.92 LMNA (0.36) ELANEALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL6426577 0.92 LMNA (0.36) ELANEALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL6423304 0.92 LMNA (0.36) ELANEALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL5559461 0.92 LMNA (0.36) ELANEALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL6426580 0.92 LMNA (0.36) ELANEALDH1A1LMNAAKR1C3AKR1C2
SCHEMBL6423752 0.91 ALDH1A1 (0.36) MEN1KMT2APOLBELANEALDH1A1

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 1519/4885POLB 1611/4885

“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.