SCHEMBL6426664

SCHEMBL6426664

CCC(C(=O)O)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
AKR1C3 P42330 3/20 0.38
AKR1C2 P52895 3/20 0.38
PLA2G7 Q13093 1/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.36
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2D6 P10635 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6428611 1.00 LMNA (0.38) LMNAAKR1C3AKR1C2PLA2G7TSHR
SCHEMBL6426088 0.92 LMNA (0.37) LMNAAKR1C3AKR1C2PLA2G7TSHR
SCHEMBL6423811 0.92 LMNA (0.37) LMNAAKR1C3AKR1C2PLA2G7TSHR
SCHEMBL6427007 0.92 LMNA (0.35) LMNAAKR1C3AKR1C2PLA2G7TSHR
SCHEMBL6422616 0.92 LMNA (0.35) LMNAAKR1C3AKR1C2PLA2G7TSHR
SCHEMBL6423695 0.91 MEN1 (0.39) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL6427423 0.91 MEN1 (0.39) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL6425670 0.91 LMNA (0.36) LMNAAKR1C3AKR1C2PLA2G7TSHR
SCHEMBL6423335 0.91 LMNA (0.36) LMNAAKR1C3AKR1C2PLA2G7TSHR
SCHEMBL6424942 0.90 AKR1C3 (0.36) LMNAAKR1C3AKR1C2PLA2G7TSHR

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.