SCHEMBL5810356

SCHEMBL5810356

CCC(C)(NC(=O)[C@H](C)c1c(C)n(C(=O)c2ccc(Cl)c(F)c2)c2cc(F)c(O)c(F)c12)C(=O)O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ERAP1 Q9NZ08 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
IDO1 P14902 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL5822527 0.95 ERAP1 (0.31) ERAP1AKR1C3AKR1C2
SCHEMBL5560409 0.93 CHRNA1 (0.33) ERAP1AKR1C3AKR1C2
SCHEMBL5800405 0.92 AKR1C3 (0.38) ERAP1AKR1C3AKR1C2
SCHEMBL5561362 0.91 AKR1C3 (0.32) ERAP1AKR1C3AKR1C2
SCHEMBL5560475 0.91 KDM4E (0.31)
SCHEMBL5554225 0.89 KMT2A (0.33) ERAP1AKR1C3AKR1C2KCNH2
SCHEMBL5554596 0.88 AKR1C3 (0.35) ERAP1AKR1C3AKR1C2
SCHEMBL5814437 0.87 AKR1C3 (0.33) ERAP1AKR1C3AKR1C2IDO1KCNH2
SCHEMBL5558392 0.86 PPARG (0.37) AKR1C3AKR1C2
SCHEMBL5814065 0.86 PTGS2 (0.42) AKR1C3AKR1C2

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 ERAP1 1796/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 ERAP1 2336/4885AKR1C3 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.