SCHEMBL3990945

SCHEMBL3990945

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

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 16/20 0.36
PTGER4 P35408 1/20 0.33
FSCN1 Q16658 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
SCHEMBL3983905 0.91 P2RX7 (0.33) P2RX7PTGER4FSCN1
SCHEMBL3988580 0.91 PTGS1 (0.36) P2RX7PTGER4FSCN1
SCHEMBL1384348 0.89 PKM (0.36)
SCHEMBL3987607 0.89 KCNJ6 (0.32) P2RX7
SCHEMBL3991213 0.87 TRAP1 (0.34) P2RX7PTGER4FSCN1
SCHEMBL3989255 0.87 MAOB (0.35) P2RX7PTGER4FSCN1
SCHEMBL3985932 0.87 P2RX7 (0.31) P2RX7PTGER4FSCN1
SCHEMBL3983915 0.86 P2RX7 (0.37) P2RX7PTGER4FSCN1
SCHEMBL3985547 0.86 KMT2A (0.34) P2RX7PTGER4FSCN1
SCHEMBL3987232 0.85 PTGER4 (0.35) P2RX7PTGER4FSCN1

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 P2RX7 1602/4885PTGER4 2608/4885FSCN1 4865/4885

“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.