SCHEMBL414723

SCHEMBL414723

CN(Cc1ccccc1C(=O)O)C(=O)CCCSc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LTB4R2 Q9NPC1 2/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABCC1 P33527 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SLC6A5 Q9Y345 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MTOR P42345 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36

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
SCHEMBL414615 0.93 L3MBTL1 (0.42) PLK1ALDH1A1LTB4R2RAB9ANPC1
SCHEMBL417466 0.88 L3MBTL1 (0.42) PLK1ALDH1A1LTB4R2LMNAKMT2A
SCHEMBL419661 0.87 RAB9A (0.43) ALDH1A1LTB4R2RAB9ANPC1LMNA
SCHEMBL414300 0.86 BCHE (0.48) ALDH1A1LTB4R2RAB9ANPC1LMNA
SCHEMBL411317 0.85 NPC1 (0.45) ALDH1A1LTB4R2RAB9ANPC1KMT2A
SCHEMBL417275 0.85 MLNR (0.44) ALDH1A1LTB4R2RAB9ANPC1KMT2A
SCHEMBL415391 0.85 ALDH1A1 (0.40) ALDH1A1LTB4R2RAB9ANPC1LMNA
SCHEMBL413187 0.85 L3MBTL1 (0.41) ALDH1A1LTB4R2RAB9ANPC1LMNA
SCHEMBL415110 0.85 TDP1 (0.48) ALDH1A1LTB4R2RAB9ANPC1KMT2A
SCHEMBL416332 0.85 BCHE (0.49) ALDH1A1LTB4R2RAB9ANPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 PLK1 3379/4885ALDH1A1 455/4885LTB4R2 3871/4885

“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.