SCHEMBL5560751

SCHEMBL5560751

Cc1c([C@@H](C)C(N)=O)c2cc(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
PIK3CD O00329 1/20 0.39
PARP1 P09874 1/20 0.39
PLA2G7 Q13093 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
ELANE P08246 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PLA2G2A P14555 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL5560755 1.00 AKR1C3 (0.42) AKR1C3AKR1C2PTGS1PTGS2PIK3CD
SCHEMBL5550600 0.90 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1PTGS2PIK3CD
SCHEMBL5560396 0.90 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1PTGS2PIK3CD
SCHEMBL5555009 0.90 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1PTGS2PIK3CD
SCHEMBL5559024 0.87 AKR1C3 (0.41) AKR1C3AKR1C2PTGS1PTGS2PIK3CD
SCHEMBL5799886 0.87 AKR1C3 (0.41) AKR1C3AKR1C2PTGS1PTGS2PIK3CD
SCHEMBL5558898 0.87 PTGS2 (0.47) PTGS1PTGS2PARP1MEN1KMT2A
SCHEMBL5558902 0.87 PTGS2 (0.47) PTGS1PTGS2PARP1MEN1KMT2A
SCHEMBL5797827 0.86 LMNA (0.47) AKR1C3AKR1C2PTGS1PTGS2MEN1
SCHEMBL5814637 0.86 AKR1C3 (0.41) AKR1C3AKR1C2PTGS1PTGS2PIK3CD

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 6 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
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO 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 AKR1C3 585/4885AKR1C2 342/4885PTGS1 6/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS1 7/4885

“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.