SCHEMBL3987607

SCHEMBL3987607

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)c(Cl)c4)nc(S(=O)(=O)C4CCCC4)c32)C1=O

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 1/20 0.32
KCNJ5 P48544 1/20 0.32
KCNJ3 P48549 1/20 0.32
P2RX7 Q99572 11/20 0.32
CNR2 P34972 3/20 0.31
CNR1 P21554 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
SCHEMBL3990945 0.89 P2RX7 (0.36) P2RX7
SCHEMBL3988580 0.87 PTGS1 (0.36) P2RX7
SCHEMBL3983905 0.87 P2RX7 (0.33) P2RX7
SCHEMBL3989255 0.84 MAOB (0.35) P2RX7
SCHEMBL3987901 0.83 AVPR1B (0.31)
SCHEMBL3991213 0.83 TRAP1 (0.34) P2RX7
SCHEMBL3986668 0.82 PTGDR2 (0.40)
SCHEMBL3987232 0.81 PTGER4 (0.35) P2RX7CNR2
SCHEMBL3991571 0.81 AVPR1B (0.36) P2RX7
SCHEMBL3985932 0.81 P2RX7 (0.31) P2RX7

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 5 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
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

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 KCNJ6 1097/4885KCNJ5 681/4885KCNJ3 1027/4885

“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.