SCHEMBL5553669

SCHEMBL5553669

CCC(C)(NC(=O)[C@H](C)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.34
KMT2A Q03164 3/20 0.33
POLB P06746 2/20 0.33
SLC6A2 P23975 2/20 0.33
MEN1 O00255 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP2B6 P20813 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33
CHRNA7 P36544 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
SCHEMBL5554553 0.92 AKR1C3 (0.37) ANO1KMT2AMEN1AKR1C3AKR1C2
SCHEMBL5560356 0.91 SLC6A2 (0.34) POLBSLC6A2AKR1C3AKR1C2TRPV1
SCHEMBL5560353 0.91 SLC6A2 (0.34) POLBSLC6A2AKR1C3AKR1C2TRPV1
SCHEMBL5554225 0.90 KMT2A (0.33) ANO1KMT2APOLBSLC6A2MEN1
SCHEMBL5559440 0.90 AKR1C3 (0.39) KMT2AMEN1AKR1C3AKR1C2SLC6A3
SCHEMBL5554738 0.89 ABCB11 (0.33) AKR1C3AKR1C2ERAP1
SCHEMBL5559516 0.89 CHRNA1 (0.33) SLC6A2AKR1C3AKR1C2CHRNA1CHRNG
SCHEMBL5561362 0.89 AKR1C3 (0.32) AKR1C3AKR1C2TRPV1ERAP1
SCHEMBL5554314 0.86 KMT2A (0.35) ANO1KMT2APOLBSLC6A2MEN1
SCHEMBL5560445 0.85 POLB (0.37) POLBSLC6A2TRPV1CHRNA1CHRNG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP 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
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO 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 ANO1 3829/4885KMT2A 1430/4885POLB 2692/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 ANO1 4578/4885KMT2A 1519/4885POLB 1611/4885

“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.