SCHEMBL2865313

SCHEMBL2865313

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2C#N)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
FAAH O00519 6/20 0.44
HTT P42858 1/20 0.44
PTGES O14684 1/20 0.44
STAT3 P40763 1/20 0.43

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
SCHEMBL2869627 0.86 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL2863647 0.85 ALDH1A1 (0.47) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL2868509 0.85 S1PR4 (0.44) ALDH1A1MAPK1SMN1; SMN2LMNAMAPT
SCHEMBL14096252 0.85 HTT (0.61) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL2858952 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL2869907 0.83 ALDH1A1 (0.44) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL2863378 0.83 PTGES (0.53) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL2860251 0.83 S1PR1 (0.49) ALDH1A1MAPK1SMN1; SMN2RAB9ALMNA
SCHEMBL14096002 0.82 ALDH1A1 (0.52) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL2856705 0.82 ALDH1A1 (0.50) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365068-B2 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2008-04-29 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
US-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections ACHILLION PHARMACEUTICALS, INC. (US) 2010-02-04 US disclosed
EP-2091524-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS Achillion Pharmaceuticals, Inc. (US) 2009-08-26 EP disclosed
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US disclosed
WO-2008076443-A2 COMBINATION THERAPY FOR TREATING HEPATITIS C INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2008-06-26 WO disclosed
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2006-02-02 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 (3 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-20100029652-A1 Combination Therapy For Treating Hepatitis C Infections HAVCR2, SLC10A1, CYP7A1 ALDH1A1 235/4885MAPK1 4242/4885SMN1; SMN2 2647/4885
US-20060025416-A1 Substituted aryl acylthioureas and related compounds; inhibitors of viral replication PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885SMN1; SMN2 3029/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC ALDH1A1 176/4885MAPK1 3135/4885SMN1; SMN2 3029/4885

“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.