SCHEMBL3982269

SCHEMBL3982269

CN1CCn2c(c(O)c3c(=O)n(Cc4ccc(F)cc4)nc(N(CC4CC4)S(C)(=O)=O)c32)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.37
PDE1B Q01064 1/20 0.37
PDE4D Q08499 1/20 0.37
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 1/20 0.32
CNR1 P21554 3/20 0.32
CNR2 P34972 3/20 0.32
PKM P14618 1/20 0.31
PKLR P30613 1/20 0.31
CCR3 P51677 1/20 0.31
KCNH2 Q12809 1/20 0.31
GRM2 Q14416 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
SCHEMBL3987909 0.92 ADORA3 (0.33) PDE2APDE1BPDE4DMAPT
SCHEMBL3986014 0.87 PKM (0.34) PDE2APDE1BPDE4DTMEM97SIGMAR1
SCHEMBL3985547 0.83 KMT2A (0.34) MAPT
SCHEMBL3982288 0.82 PKM (0.34) TMEM97SIGMAR1MAPTCNR1CNR2
SCHEMBL1384348 0.81 PKM (0.36) PDE2APDE1BPDE4DTMEM97SIGMAR1
SCHEMBL3982580 0.81 CYP2C9 (0.34) TMEM97SIGMAR1MAPTCNR1CNR2
SCHEMBL3985868 0.80 KMT2A (0.31)
SCHEMBL3985287 0.80 POLB (0.34) TMEM97SIGMAR1MAPTCNR1CNR2
SCHEMBL3984969 0.80 PKM (0.38) TMEM97SIGMAR1MAPTCNR1CNR2
SCHEMBL3985422 0.80 PKM (0.36) PDE2APDE1BPDE4DTMEM97SIGMAR1

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 6 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-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 PDE2A 720/4885PDE1B 1526/4885PDE4D 457/4885

“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.