SCHEMBL417362

SCHEMBL417362

CS(=O)(=O)Nc1ccc(SCCCC(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL417599 0.82 HPGD (0.53) ALDH1A1NPC1RAB9ALMNAHDAC3
SCHEMBL9732832 0.80 ALDH1A1 (0.47) ALDH1A1NPC1RAB9ALMNAHDAC3
SCHEMBL9732615 0.80 NPC1 (0.49) ALDH1A1NPC1RAB9ALMNAHDAC3
SCHEMBL414342 0.80 RAB9A (0.72) ALDH1A1NPC1RAB9ALMNAGAA
SCHEMBL9732579 0.79 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ALMNAHDAC3
SCHEMBL7907147 0.77 KDM4E (0.58) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL417732 0.76 ALDH1A1 (0.70) ALDH1A1NPC1RAB9ALMNAHPGD
SCHEMBL9447463 0.76 PDE4B (0.54) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL416482 0.74 ALDH1A1 (0.72) ALDH1A1NPC1RAB9ALMNAHDAC3
SCHEMBL1932191 0.73 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ALMNAHDAC3

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 ALDH1A1 455/4885NPC1 76/4885RAB9A 646/4885

“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.