SCHEMBL4474214

SCHEMBL4474214

CON(C(=O)c1ccc(C)c(-n2cnc(C(=O)O)c2)c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
TLR2 O60603 2/20 0.38
TLR1 Q15399 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
LTC4S Q16873 2/20 0.36
LDLR P01130 1/20 0.36
KIT P10721 1/20 0.36
PCSK9 Q8NBP7 1/20 0.36
POLB P06746 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTGER1 P34995 1/20 0.35
KMT2A Q03164 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
SCHEMBL4473800 0.81 KDM4E (0.32) KDM4E
SCHEMBL4476625 0.79 TEK (0.34)
SCHEMBL4469729 0.79 NR2E1 (0.35) KDM4EALDH1A1HTTLDLRKIT
SCHEMBL4479657 0.76 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL4477906 0.76 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL4508141 0.76 ESRRA (0.38) GPR142
SCHEMBL4474207 0.75 KDR (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5491797 0.73 CES2 (0.47) ALDH1A1HTTPOLBRXFP1KMT2A
SCHEMBL4482580 0.72 KDM4E (0.34) KDM4E
SCHEMBL1404787 0.70 NOTUM (0.38) GPR142

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
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US claimed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 US claimed
US-7485657-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
EP-1756065-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-02-28 EP disclosed
WO-2005115991-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-08 WO disclosed
US-20050256113-A1 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-11-17 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 (1 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-20050256113-A1 Anti-cytokine heterocyclic compounds TNF, IL6, IL2 PSEN1 3132/4885PSEN2 2867/4885APH1B 2322/4885

“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.