SCHEMBL4366238

SCHEMBL4366238

C[C@H](Oc1cccc(NC(=S)NC(=O)c2ccc(C(F)(F)F)cc2)c1)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.64
ALOX12 P18054 8/20 0.64
MAPT P10636 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
CCR6 P51684 2/20 0.64
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 7/20 0.57
NPC1 O15118 5/20 0.57
RAB9A P51151 5/20 0.57
LMNA P02545 4/20 0.57
NPSR1 Q6W5P4 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.49
EPHX1 P07099 1/20 0.48
MIF P14174 1/20 0.48

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
SCHEMBL4539373 1.00 ALDH1A1 (0.64) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL4365512 0.90 NPC1 (0.56) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL4364669 0.90 NPC1 (0.56) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL13956791 0.85 EPHX1 (0.62) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL13956782 0.80 MEN1 (0.69) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL6219787 0.80 MEN1 (0.46) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL6221564 0.80 MEN1 (0.46) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL3048213 0.79 ALDH1A1 (0.67) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL4538535 0.79 ALDH1A1 (0.62) ALDH1A1ALOX12MAPTMEN1KMT2A
SCHEMBL4365221 0.78 ALDH1A1 (0.52) ALDH1A1ALOX12MAPTMEN1KMT2A

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-7094807-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2006-08-22 US claimed
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication CHEN DAWEI 2006-01-19 US claimed
US-20040138205-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. 2004-07-15 US claimed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-7476686-B2 Substituted aryl thioureas and related compounds; inhibitors of viral replication ACHILLION PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
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 ALDH1A1 310/4885ALOX12 2459/4885MAPT 3454/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 ALDH1A1 221/4885ALOX12 1395/4885MAPT 3752/4885

“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.