SCHEMBL6424978

SCHEMBL6424978

Cc1c([C@](C)(C(=O)O)C2CCCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.37
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 1/20 0.34
USP2 O75604 1/20 0.34
MGLL Q99685 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD11B1 P28845 1/20 0.33
GRM5 P41594 1/20 0.33
MAPT P10636 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
SCHEMBL6425052 0.98 USP2 (0.36) TDP1KDM4EHTTAKR1C3AKR1C2
SCHEMBL6423800 0.92 ALDH1A1 (0.37) KDM4ESMN1; SMN2MGLLLMNAALDH1A1
SCHEMBL6424758 0.90 ALDH1A1 (0.37) KDM4EMGLLALDH1A1MEN1KMT2A
SCHEMBL6425959 0.89 MEN1 (0.33) AKR1C3AKR1C2MEN1KMT2AHSD11B1
SCHEMBL6426521 0.88 TDP1 (0.38) TDP1KDM4EHTTAKR1C3AKR1C2
SCHEMBL6453546 0.88 PDE2A (0.35) AKR1C3AKR1C2MGLL
SCHEMBL6424162 0.88 TSHR (0.35) ALDH1A1HSD11B1
SCHEMBL6423598 0.87 MEN1 (0.33) AKR1C3AKR1C2MEN1KMT2AHSD11B1
SCHEMBL6424291 0.87 AKR1C3 (0.39) KDM4EAKR1C3AKR1C2MGLLLMNA
SCHEMBL6424265 0.86 AKR1C3 (0.37) TDP1KDM4EHTTAKR1C3AKR1C2

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 TDP1 3450/4885KDM4E 2209/4885HTT 3263/4885

“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.