SCHEMBL3985873

SCHEMBL3985873

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(C(=O)NCC(F)F)c32)C1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
FSCN1 Q16658 1/20 0.34
CNR2 P34972 1/20 0.33
AVPR1B P47901 3/20 0.33
MME P08473 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
PDPK1 O15530 2/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
LIPG Q9Y5X9 2/20 0.31
P2RX7 Q99572 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3987210 0.92 PDE4A (0.38) PTGER4FSCN1CNR2PDPK1PDE4A
SCHEMBL3991044 0.90 PTGER4 (0.36) PTGER4FSCN1CNR2PDPK1LIPG
SCHEMBL3984446 0.90 PTGER4 (0.37) PTGER4FSCN1CNR2AVPR1BMME
SCHEMBL3986816 0.89 MEN1 (0.42) PTGER4FSCN1CNR2AVPR1BPDPK1
SCHEMBL3985759 0.88 POLB (0.36) PTGER4FSCN1CNR2PDPK1LIPG
SCHEMBL3987232 0.87 PTGER4 (0.35) PTGER4FSCN1CNR2AVPR1BP2RX7
SCHEMBL3985290 0.87 CNR2 (0.40) PTGER4FSCN1CNR2PDE4APDE4B
SCHEMBL3984637 0.87 ALDH1A1 (0.36) PTGER4FSCN1CNR2PDPK1LIPG
SCHEMBL3988126 0.86 PTGER4 (0.34) PTGER4FSCN1CNR2AVPR1BP2RX7
SCHEMBL3982265 0.85 PARP1 (0.36) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US claimed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US claimed
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP 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-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP PTGER4 2608/4885FSCN1 4865/4885CNR2 4598/4885

“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.