SCHEMBL2862658

SCHEMBL2862658

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2NC(C)=O)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.48
ALDH1A1 P00352 6/20 0.43
HTT P42858 3/20 0.43
EPHX1 P07099 2/20 0.42
KDR P35968 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALOX12 P18054 2/20 0.40
MAPK1 P28482 1/20 0.40
CCR6 P51684 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2866607 0.91 S1PR1 (0.48) S1PR1ALDH1A1HTTEPHX1KDR
SCHEMBL2863994 0.89 S1PR1 (0.50) S1PR1ALDH1A1HTTEPHX1SMN1; SMN2
SCHEMBL2868160 0.89 S1PR1 (0.50) S1PR1ALDH1A1HTTEPHX1SMN1; SMN2
SCHEMBL2861296 0.87 S1PR1 (0.49) S1PR1ALDH1A1HTTEPHX1SMN1; SMN2
SCHEMBL2869240 0.86 S1PR1 (0.50) S1PR1ALDH1A1HTTEPHX1SMN1; SMN2
SCHEMBL2860251 0.86 S1PR1 (0.49) S1PR1ALDH1A1HTTEPHX1SMN1; SMN2
SCHEMBL2862531 0.85 S1PR1 (0.47) S1PR1ALDH1A1HTTEPHX1SMN1; SMN2
SCHEMBL2865604 0.85 S1PR1 (0.49) S1PR1ALDH1A1HTTEPHX1SMN1; SMN2
SCHEMBL2860051 0.84 THRA (0.47) S1PR1ALDH1A1HTTNPSR1LMNA
SCHEMBL14096277 0.84 MEN1 (0.50) S1PR1ALDH1A1HTTNPSR1LMNA

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-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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 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 S1PR1 1409/4885ALDH1A1 176/4885HTT 1526/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC S1PR1 1409/4885ALDH1A1 176/4885HTT 1526/4885

“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.