SCHEMBL6423659

SCHEMBL6423659

Cc1c([C@H](CC2CCCC2)C(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HSD11B1 P28845 1/20 0.34
LMNA P02545 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
PTGS2 P35354 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
ELANE P08246 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
SCHEMBL6423431 0.98 MEN1 (0.36) METAP2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL6424869 0.91 TDP1 (0.37) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL6423918 0.91 AKR1C3 (0.41) MEN1KMT2AKDM4ELMNAPTGS2
SCHEMBL6423627 0.90 AKR1C3 (0.36) MEN1KMT2AALDH1A1KDM4EHSD11B1
SCHEMBL6423996 0.90 USP30 (0.33) MEN1KMT2AHSD11B1LMNAPTGS2
SCHEMBL6464931 0.89 PTGS2 (0.33) PTGS2AKR1C3AKR1C2
SCHEMBL6424973 0.89 TSHR (0.34) HSD11B1PTGS2AKR1C3AKR1C2
SCHEMBL6425625 0.89 AKR1C3 (0.41) MEN1KMT2AKDM4ELMNAPTGS2
SCHEMBL6425917 0.88 MEN1 (0.33) MEN1KMT2AHSD11B1LMNAPTGS2
SCHEMBL6453001 0.87 AKR1C3 (0.33) PTGS2AKR1C3AKR1C2

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 METAP2 693/4885MEN1 3824/4885KMT2A 1519/4885

“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.