SCHEMBL414342

SCHEMBL414342

CC(=O)Nc1ccc(SCCCC(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.72
NPC1 O15118 3/20 0.72
GAA P10253 1/20 0.69
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.51
LMNA P02545 2/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CLK1 P49759 1/20 0.48
GFER P55789 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL8577242 0.92 GAA (0.71) RAB9ANPC1GAAALDH1A1KDM4E
SCHEMBL9518238 0.86 GAA (0.71) RAB9ANPC1GAAALDH1A1KDM4E
SCHEMBL464521 0.85 RAB9A (0.65) RAB9ANPC1GAAALDH1A1USP2
SCHEMBL11388934 0.85 RAB9A (0.65) RAB9ANPC1GAAALDH1A1USP2
SCHEMBL18782334 0.84 RAB9A (0.63) RAB9ANPC1GAAUSP2LMNA
SCHEMBL11385176 0.84 RAB9A (0.63) RAB9ANPC1GAAALDH1A1USP2
SCHEMBL9478153 0.83 RAB9A (0.62) RAB9ANPC1GAAALDH1A1USP2
SCHEMBL8795161 0.83 RAB9A (0.62) RAB9ANPC1GAAALDH1A1USP2
SCHEMBL11841835 0.81 GAA (0.65) RAB9ANPC1GAAALDH1A1KDM4E
SCHEMBL11002802 0.81 GAA (1.00) RAB9ANPC1GAAALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO disclosed
EP-2196453-A1 Novel substituted aryl derivatives, their process of preparation and their therapeutical uses as anti-HIV agents Cellvir (FR) 2010-06-16 EP 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 RAB9A 646/4885NPC1 76/4885GAA 184/4885

“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.