SCHEMBL4902689

SCHEMBL4902689

N#Cc1cc(C#N)cc(Sc2[nH]c(CCOCc3ccccc3)nc2C2CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOB P27338 2/20 0.33
NOS2 P35228 1/20 0.32
REN P00797 5/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
MAOA P21397 1/20 0.32
PRMT5 O14744 2/20 0.32
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MAPK14 Q16539 1/20 0.31
GHSR Q92847 1/20 0.31
MAP2K2 P36507 1/20 0.31
MAP2K1 Q02750 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
SCHEMBL4902044 0.91 CXCR2 (0.38) CXCR2RAPGEF4MAOBCTSLCTSB
SCHEMBL4903195 0.79 FASN (0.34) CXCR2
SCHEMBL4900356 0.77 FASN (0.32) CXCR2MAP2K2MAP2K1
SCHEMBL14153969 0.77 ALDH1A1 (0.35) ALDH1A1MAOBMAOAGHSR
SCHEMBL4903034 0.77 NOS2 (0.36) CXCR2ALDH1A1MAOBNOS2CTSL
SCHEMBL4886740 0.77 KCNH2 (0.38) ALDH1A1MAOBMAOAGHSR
SCHEMBL4884251 0.76 ALDH1A1 (0.31) ALDH1A1MAOBGHSR
SCHEMBL4894124 0.76 L3MBTL1 (0.33) ALDH1A1MAOBMAOACYP19A1CYP11B1
SCHEMBL4903271 0.73 HRH4 (0.39) CXCR2ALDH1A1RENPRMT5HRH4
SCHEMBL4892377 0.73 GHSR (0.37) ALDH1A1MAOBGHSRMAP2K2MAP2K1

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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids PFIZER INC. (US) 2008-06-05 US disclosed
EP-1740550-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV Pfizer Limited (GB) 2007-01-10 EP disclosed
WO-2005100322-A1 SULPHUR-LINKED IMIDAZOLE COMPOUNDS FOR THE TREAMENT OF HIV PFIZER LIMITED (GB) 2005-10-27 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-20080132549-A1 Sulphur-Linked Imidazone Compounds for the Treatment of Hiv/Aids SPR, TPMT, IMPDH1 CXCR2 3142/4885RAPGEF4 4775/4885ALDH1A1 84/4885

“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.