SCHEMBL6426427

SCHEMBL6426427

CCC[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
AKR1C3 P42330 4/20 0.36
AKR1C2 P52895 4/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
SRC P12931 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
RORC P51449 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 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
SCHEMBL6424197 0.95 ELANE (0.36) ELANEAKR1C3AKR1C2CNR1CNR2
SCHEMBL6424929 0.94 ELANE (0.37) ELANEAKR1C3AKR1C2CNR1CNR2
SCHEMBL6422833 0.91 AKR1C3 (0.41) ELANEAKR1C3AKR1C2CNR2SRC
SCHEMBL6424714 0.90 AKR1C3 (0.45) AKR1C3AKR1C2MEN1KMT2AMAPT
SCHEMBL6424588 0.89 AKR1C3 (0.35) AKR1C3AKR1C2SRCMEN1KMT2A
SCHEMBL6455431 0.88 RORC (0.35) AKR1C3AKR1C2SRCMEN1KMT2A
SCHEMBL6426038 0.88 AKR1C3 (0.35) AKR1C3AKR1C2SRCRORCPTGS1
SCHEMBL6426438 0.88 SRC (0.38) ELANEAKR1C3AKR1C2CNR1CNR2
SCHEMBL6426830 0.87 ALDH1A1 (0.36) ELANEAKR1C3AKR1C2CNR1CNR2
SCHEMBL6423815 0.86 MEN1 (0.37) ELANEAKR1C3AKR1C2CNR1CNR2

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 2781/4885AKR1C3 577/4885AKR1C2 563/4885

“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.