SCHEMBL5798666

SCHEMBL5798666

Cc1c([C@@H](C)CCC(N)=O)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
PLA2G2A P14555 2/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.33
PTGS2 P35354 1/20 0.33
PARP1 P09874 1/20 0.33
ELANE P08246 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5558841 0.91 AKR1C3 (0.36) AKR1C3AKR1C2PLA2G2AHPGDPARP1
SCHEMBL5558674 0.89 POLB (0.35) AKR1C3AKR1C2PLA2G2ACNR1CNR2
SCHEMBL5558566 0.89 PLA2G2A (0.35) AKR1C3AKR1C2PLA2G2ACNR1CNR2
SCHEMBL5560567 0.89 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2
SCHEMBL5558655 0.88 AKR1C3 (0.36) AKR1C3AKR1C2HPGDPTGS2
SCHEMBL5558918 0.88 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2MEN1KMT2A
SCHEMBL5561824 0.87 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2
SCHEMBL5559391 0.86 POLB (0.36) AKR1C3AKR1C2PLA2G2ACNR1CNR2
SCHEMBL5559387 0.86 POLB (0.36) AKR1C3AKR1C2PLA2G2ACNR1CNR2
SCHEMBL5553774 0.84 AKR1C3 (0.35) AKR1C3AKR1C2PLA2G2ACNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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 (2 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 AKR1C3 585/4885AKR1C2 342/4885PLA2G2A 54/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PLA2G2A 62/4885

“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.