SCHEMBL4543536

SCHEMBL4543536

O=C(Nc1cccc(OCC2CCCCC2)c1)N(S)C(=O)c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.48
NPSR1 Q6W5P4 1/20 0.42
PPM1D O15297 1/20 0.42
RAB9A P51151 6/20 0.41
TP53 P04637 5/20 0.41
NPC1 O15118 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
MAPK1 P28482 2/20 0.39
NLRP3 Q96P20 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL4361554 0.83 SIRT2 (0.49) SIRT2RAB9ATP53NPC1MEN1
SCHEMBL4360388 0.82 RAB9A (0.50) RAB9ATP53NPC1MEN1KMT2A
SCHEMBL4543534 0.81 NPC1 (0.59) SIRT2RAB9ATP53NPC1MEN1
SCHEMBL4358714 0.79 RAB9A (0.46) NPSR1RAB9ATP53NPC1MEN1
SCHEMBL4540505 0.73 LTA4H (0.48) RAB9ATP53NPC1MEN1KMT2A
SCHEMBL11168536 0.72 SIRT2 (0.53) SIRT2RAB9ATP53NPC1NR1H4
SCHEMBL12867305 0.71 SIRT2 (0.60) SIRT2RAB9ANPC1SMN1; SMN2NR1H4
SCHEMBL4543532 0.71 RAB9A (0.45) SIRT2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2941580 0.71 RAB9A (0.44) RAB9ATP53NPC1MEN1KMT2A
Hydrochloric Acid SCHEMBL2910330 0.70 RAB9A (0.43) RAB9ATP53NPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
EP-1562895-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2005-08-17 EP claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
WO-2004046095-A1 SUBSTITUTED ARYL THIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2004-06-03 WO claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US disclosed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 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 (2 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-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, TPMT SIRT2 774/4885NPSR1 3874/4885PPM1D 1676/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 SIRT2 1118/4885NPSR1 3386/4885PPM1D 2439/4885

“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.