SCHEMBL4364669

SCHEMBL4364669

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
ALDH1A1 P00352 10/20 0.55
SMN1; SMN2 Q16637 8/20 0.55
ALOX12 P18054 7/20 0.55
LMNA P02545 5/20 0.55
MAPT P10636 6/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
GAA P10253 1/20 0.54
CCR6 P51684 1/20 0.54
HPGD P15428 1/20 0.50
EPHX1 P07099 1/20 0.47
MIF P14174 1/20 0.47
BRAF P15056 1/20 0.47
HTT P42858 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46

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
SCHEMBL4365512 1.00 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12
SCHEMBL4539373 0.90 ALDH1A1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12
SCHEMBL4366238 0.90 ALDH1A1 (0.64) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12
SCHEMBL13956786 0.86 EPHX1 (0.62) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12
SCHEMBL13956778 0.81 MEN1 (0.67) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12
SCHEMBL6218975 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL4375349 0.80 ALDH1A1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12
SCHEMBL4375215 0.78 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12
SCHEMBL4364673 0.78 MAPK14 (0.45) NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4365221 0.76 ALDH1A1 (0.52) NPC1RAB9AALDH1A1SMN1; SMN2ALOX12

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 NPC1 107/4885RAB9A 2176/4885ALDH1A1 310/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 NPC1 151/4885RAB9A 2273/4885ALDH1A1 221/4885

“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.