SCHEMBL3987232

SCHEMBL3987232

CC(=O)c1nn(Cc2ccc(F)c(Cl)c2)c(=O)c2c(O)c3n(c12)CCN(C)C3=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.35
FSCN1 Q16658 1/20 0.34
PIK3CA P42336 1/20 0.33
P2RX7 Q99572 5/20 0.33
AVPR1B P47901 3/20 0.33
CYP2C9 P11712 1/20 0.32
PPARG P37231 1/20 0.32
DAO P14920 1/20 0.32
KCNK3 O14649 1/20 0.32
MAOB P27338 1/20 0.32
CNR2 P34972 1/20 0.32
PREP P48147 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
SCHEMBL3988126 0.92 PTGER4 (0.34) PTGER4FSCN1PIK3CAP2RX7AVPR1B
SCHEMBL3984446 0.91 PTGER4 (0.37) PTGER4FSCN1PIK3CAP2RX7AVPR1B
SCHEMBL3982488 0.91 PTGER4 (0.33) PTGER4FSCN1PIK3CAP2RX7AVPR1B
SCHEMBL3987210 0.90 PDE4A (0.38) PTGER4FSCN1CNR2
SCHEMBL3982265 0.89 PARP1 (0.36) PIK3CA
SCHEMBL3985369 0.89 LMNA (0.36) P2RX7AVPR1BPREP
SCHEMBL3983968 0.89 PIK3CD (0.39) PIK3CAAVPR1BCNR2
SCHEMBL3986897 0.89 PTGER4 (0.32) PTGER4FSCN1PIK3CAP2RX7AVPR1B
SCHEMBL3991772 0.88 AVPR1B (0.33) PTGER4FSCN1PIK3CAP2RX7AVPR1B
SCHEMBL3991044 0.88 PTGER4 (0.36) PTGER4FSCN1CNR2

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 9 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
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

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 4865/4885PIK3CA 98/4885

“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.