SCHEMBL2869660

SCHEMBL2869660

O=C(NSC(=O)c1cccnc1)Nc1cccc(OCc2ccc(F)c(F)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.48
SIRT1 Q96EB6 6/20 0.48
SIRT3 Q9NTG7 6/20 0.48
LRRK2 Q5S007 1/20 0.48
PPARA Q07869 1/20 0.46
GPR132 Q9UNW8 1/20 0.45
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMPD1 P17405 1/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDR P35968 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX2 P34913 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
SCHEMBL2915616 0.84 SIRT2 (0.42) SIRT2SIRT1SIRT3LRRK2PPARA
SCHEMBL2869665 0.81 ALDH1A1 (0.59) SIRT2SIRT1SIRT3LRRK2TSHR
SCHEMBL2869381 0.79 EPHX2 (0.43) PPARAKMT2AMEN1NPC1POLB
SCHEMBL2865565 0.79 SIRT2 (0.48) SIRT2SIRT1SIRT3PPARASMN1; SMN2
SCHEMBL2865605 0.79 EPHX2 (0.43) SIRT2SIRT1SIRT3PPARAKMT2A
SCHEMBL2860972 0.74 LMNA (0.40) PPARAKMT2AMEN1NPC1POLB
SCHEMBL7149299 0.72 NOS1 (0.57) LRRK2KMT2AMEN1RAB9A
SCHEMBL2871928 0.71 F10 (0.49) EPHX2
SCHEMBL3428338 0.70 MAOB (0.52) SIRT2SIRT1SIRT3PPARAKMT2A
SCHEMBL2915621 0.69 ALDH1A1 (0.52) SIRT2SIRT1SIRT3LRRK2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US claimed
EP-1747196-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION Achillion Pharmaceuticals, Inc. (US) 2007-01-31 EP claimed
WO-2006083271-A2 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 US claimed
US-7767706-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2010-08-03 US disclosed
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 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-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC SIRT2 755/4885SIRT1 454/4885SIRT3 432/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC SIRT2 755/4885SIRT1 454/4885SIRT3 432/4885

“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.