SCHEMBL5559591

SCHEMBL5559591

Cc1c([C@@H](C)C(N)=O)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
PARP1 P09874 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SRC P12931 1/20 0.37
PLA2G7 Q13093 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ELANE P08246 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CHRNB2 P17787 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL5559594 1.00 PIK3CD (0.39) PIK3CDPARP1AKR1C3AKR1C2SRC
SCHEMBL5554437 0.90 SRC (0.40) PIK3CDAKR1C3AKR1C2SRCPLA2G7
SCHEMBL5554442 0.90 SRC (0.40) PIK3CDAKR1C3AKR1C2SRCPLA2G7
SCHEMBL5550631 0.90 SRC (0.40) PIK3CDAKR1C3AKR1C2SRCPLA2G7
SCHEMBL5560512 0.90 ALDH1A1 (0.37) PARP1SRCALDH1A1KMT2AMEN1
SCHEMBL5560516 0.90 ALDH1A1 (0.37) PARP1SRCALDH1A1KMT2AMEN1
SCHEMBL5559894 0.88 AKR1C3 (0.37) PIK3CDAKR1C3AKR1C2SRCPLA2G7
SCHEMBL5559891 0.88 AKR1C3 (0.37) PIK3CDAKR1C3AKR1C2SRCPLA2G7
SCHEMBL5560568 0.87 MEN1 (0.36) AKR1C3AKR1C2SRCKMT2AMEN1
SCHEMBL5560569 0.87 MEN1 (0.36) AKR1C3AKR1C2SRCKMT2AMEN1

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 PIK3CD 2835/4885PARP1 1228/4885AKR1C3 585/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PIK3CD 2741/4885PARP1 874/4885AKR1C3 577/4885

“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.