SCHEMBL6423917

SCHEMBL6423917

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOTUM Q6P988 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
RAB9A P51151 1/20 0.33
ELANE P08246 1/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.32
ABCB1 P08183 1/20 0.32
MGAM O43451 1/20 0.32
AMY1A P0DUB6 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
SCHEMBL6425579 0.91 AKR1C3 (0.38) ALDH1A1NOTUMAKR1C3AKR1C2KMT2A
SCHEMBL6423698 0.90 ALDH1A1 (0.39) ALDH1A1L3MBTL1NOTUMAKR1C3AKR1C2
SCHEMBL6423897 0.89 ALDH1A1 (0.36) ALDH1A1L3MBTL1NOTUMAKR1C3AKR1C2
SCHEMBL6423098 0.89 AKR1C3 (0.42) AKR1C3AKR1C2MEN1KMT2AKDM4E
SCHEMBL6426002 0.89 MEN1 (0.34) AKR1C3AKR1C2MEN1KMT2A
SCHEMBL6425761 0.87 AKR1C3 (0.33) ALDH1A1NOTUMAKR1C3AKR1C2KMT2A
SCHEMBL6465237 0.87 RORC (0.33) AKR1C3AKR1C2
SCHEMBL6422614 0.87 ALDH1A1 (0.37) ALDH1A1L3MBTL1NOTUMAKR1C3AKR1C2
SCHEMBL6423401 0.87 ALDH1A1 (0.37) ALDH1A1L3MBTL1NOTUMAKR1C3AKR1C2
SCHEMBL6426830 0.86 ALDH1A1 (0.36) ALDH1A1L3MBTL1NOTUMAKR1C3AKR1C2

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 ALDH1A1 630/4885L3MBTL1 4595/4885NOTUM 928/4885

“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.