SCHEMBL6423301

SCHEMBL6423301

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
TSHR P16473 2/20 0.34
ELANE P08246 1/20 0.34
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PIK3CD O00329 1/20 0.33
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
PLA2G7 Q13093 1/20 0.32
NOTUM Q6P988 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL6426580 1.00 LMNA (0.36) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL5559461 1.00 LMNA (0.36) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL6426577 1.00 LMNA (0.36) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL6423304 1.00 LMNA (0.36) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL6424841 0.92 MEN1 (0.38) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL6425641 0.92 MEN1 (0.38) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL6424842 0.92 MEN1 (0.38) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL6424857 0.92 MEN1 (0.38) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL6425636 0.92 MEN1 (0.38) LMNAAKR1C3AKR1C2ELANEALDH1A1
SCHEMBL5819617 0.91 LMNA (0.34) LMNAAKR1C3AKR1C2ELANE

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 LMNA 3613/4885AKR1C3 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.