SCHEMBL4900356

SCHEMBL4900356

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FASN P49327 9/20 0.32
CXCR2 P25025 2/20 0.31
MAP2K2 P36507 1/20 0.30
MAP2K1 Q02750 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
SCHEMBL4903195 0.90 FASN (0.34) FASNCXCR2
SCHEMBL4892355 0.81 PKM (0.34) FASNCXCR2
SCHEMBL4902044 0.79 CXCR2 (0.38) CXCR2MAP2K2MAP2K1
SCHEMBL4900824 0.77 KCNH2 (0.40) MAP2K2MAP2K1
SCHEMBL4902689 0.77 CXCR2 (0.36) CXCR2MAP2K2MAP2K1
SCHEMBL4894069 0.76 MAP2K2 (0.33) FASNMAP2K2MAP2K1
SCHEMBL14169637 0.72 FASN (0.31) FASN
SCHEMBL4900372 0.72 PDE2A (0.32)
SCHEMBL4903068 0.72 CXCR2 (0.31) CXCR2
SCHEMBL4901389 0.68 FASN (0.31) FASN

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 FASN 723/4885CXCR2 3142/4885MAP2K2 3967/4885

“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.