SCHEMBL5560925

SCHEMBL5560925

Cc1c([C@@H](C)CCC(N)=O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.35
LMNA P02545 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PARP1 P09874 1/20 0.33
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
ELANE P08246 1/20 0.32
PLA2G7 Q13093 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
BCR P11274 1/20 0.32
CYP3A4 P08684 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
SCHEMBL5558566 0.92 PLA2G2A (0.35) LMNAAKR1C3AKR1C2PARP1ALDH1A1
SCHEMBL5560583 0.89 LMNA (0.35) PIK3CDLMNAAKR1C3AKR1C2PARP1
SCHEMBL5553918 0.89 AKR1C3 (0.35) AKR1C3AKR1C2
SCHEMBL5558841 0.88 AKR1C3 (0.36) PIK3CDLMNAAKR1C3AKR1C2PARP1
SCHEMBL5555053 0.87 AKR1C3 (0.34) AKR1C3AKR1C2
SCHEMBL5558724 0.87 AKR1C3 (0.34) AKR1C3AKR1C2TSHR
SCHEMBL5554443 0.87 AKR1C3 (0.43) AKR1C3AKR1C2
SCHEMBL5561061 0.85 PIK3CD (0.38) PIK3CDLMNAAKR1C3AKR1C2PARP1
SCHEMBL5561066 0.85 PIK3CD (0.38) PIK3CDLMNAAKR1C3AKR1C2PARP1
SCHEMBL5558846 0.84 AKR1C3 (0.36) PIK3CDLMNAAKR1C3AKR1C2PARP1

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 2835/4885LMNA 4397/4885AKR1C3 585/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PIK3CD 2741/4885LMNA 3613/4885AKR1C3 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.