SCHEMBL13535007

SCHEMBL13535007

CCCSc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.49
NMT1 P30419 1/20 0.47
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAOB P27338 3/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAOA P21397 1/20 0.42

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
SCHEMBL8193168 0.77 P4HTM (0.53) P4HTMCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL13535006 0.77 KDM4E (0.45) MAPTSMN1; SMN2L3MBTL1
SCHEMBL15866099 0.76 L3MBTL1 (0.44) LMNAMAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL20406077 0.73 P4HTM (0.55) P4HTMCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL228033 0.73 P4HTM (0.58) P4HTMLMNACYP1A2PTGS1SLC6A2
SCHEMBL1818021 0.71 KMT2A (0.51) LMNACYP2C19GAAMAPTRAB9A
SCHEMBL31038328 0.71 KMT2A (0.51) LMNACYP2C19GAAMAPTRAB9A
SCHEMBL13535000 0.71 KDM4E (0.47) LMNAPTGS1SLC6A2PTGS2SLC6A3
SCHEMBL10784840 0.71 LTA4H (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL13535008 0.71 P4HTM (0.60) P4HTMLMNACYP1A2PTGS1SLC6A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 P4HTM 1571/4885NMT1 373/4885CHRNB2 4836/4885

“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.