SCHEMBL3986695

SCHEMBL3986695

CCN(CC)C(=O)Sc1nn(Cc2ccc(F)c(Cl)c2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.32
P2RX7 Q99572 3/20 0.31
FSCN1 Q16658 1/20 0.31
SLC6A9 P48067 2/20 0.31
KCNH2 Q12809 2/20 0.31
AVPR1B P47901 1/20 0.30

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
SCHEMBL3986704 0.91 P2RX7 (0.33) PTGER4P2RX7FSCN1
SCHEMBL13846614 0.86 AVPR1B (0.30) PTGER4AVPR1B
SCHEMBL3991213 0.84 TRAP1 (0.34) PTGER4P2RX7FSCN1AVPR1B
SCHEMBL3990684 0.83 P2RX7 (0.34) PTGER4P2RX7FSCN1
SCHEMBL3986897 0.83 PTGER4 (0.32) PTGER4P2RX7FSCN1SLC6A9KCNH2
SCHEMBL3987232 0.82 PTGER4 (0.35) PTGER4P2RX7FSCN1AVPR1B
SCHEMBL3989255 0.82 MAOB (0.35) PTGER4P2RX7FSCN1
SCHEMBL3982488 0.82 PTGER4 (0.33) PTGER4P2RX7FSCN1SLC6A9KCNH2
SCHEMBL3988126 0.82 PTGER4 (0.34) PTGER4P2RX7FSCN1AVPR1B
SCHEMBL3987210 0.81 PDE4A (0.38) PTGER4FSCN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1756114-B1 HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-19 EP claimed
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
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-7538112-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2009-05-26 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
EP-1756114-A2 HIV INTEGRASE INHIBITORS Merck and Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005110414-A2 HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2005-11-24 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 (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 2608/4885P2RX7 1602/4885FSCN1 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.