SCHEMBL2865590

SCHEMBL2865590

CCCCCOc1ccc(NC(=S)NC(=O)c2cccnc2CN2CCN(C)CC2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.43
SRC P12931 5/20 0.43
ABL1 P00519 5/20 0.43
S1PR1 P21453 3/20 0.43
EGFR P00533 2/20 0.42
BRAF P15056 2/20 0.42
RET P07949 2/20 0.41
KIF5B P33176 1/20 0.41
CCDC6 Q16204 1/20 0.41
STAT3 P40763 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
SCHEMBL2867506 0.92 S1PR1 (0.44) S1PR1BRAF
SCHEMBL2877469 0.88 CHIA (0.47) S1PR1BRAF
SCHEMBL2861296 0.87 S1PR1 (0.49) S1PR1
SCHEMBL2863994 0.85 S1PR1 (0.50) S1PR1
SCHEMBL2862531 0.84 S1PR1 (0.47) S1PR1
SCHEMBL2866927 0.84 HPGD (0.48)
SCHEMBL2868160 0.83 S1PR1 (0.50) S1PR1
SCHEMBL14096277 0.83 MEN1 (0.50) S1PR1
SCHEMBL3151097 0.83 EGFR (0.45) KITABL1S1PR1EGFRBRAF
SCHEMBL2863411 0.82 HTR2A (0.50) S1PR1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101087755-A Substituted arylacylthioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS INC (US) 2007-12-12 CN 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-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS (US) 2009-01-22 US 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 (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 KIT 3844/4885SRC 4215/4885ABL1 2819/4885
US-20090023730-A1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION PIGS, NAT1, AADAC KIT 3844/4885SRC 4215/4885ABL1 2819/4885

“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.