Sugi Predict

Sugi Predict / Compounds / SCHEMBL4364673

SCHEMBL4364673

SCHEMBL4364673

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GPR139 Q6DWJ6 1/20 0.42
▸ LTB4R Q15722 2/20 0.40
▸ LTB4R2 Q9NPC1 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CETP P11597 2/20 0.39
▸ MMP12 P39900 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ EPHX2 P34913 3/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ RPS6KB1 P23443 1/20 0.37
▸ PPARG P37231 1/20 0.37

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
SCHEMBL4366242 0.90 MAPK14 (0.43) MAPK14NPC1RAB9AGPR139LTB4R
SCHEMBL4375354 0.80 MAPK14 (0.49) MAPK14NPC1RAB9ACETPTRPV1
SCHEMBL4364669 0.78 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4365512 0.78 NPC1 (0.56) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4360469 0.76 CYP1A2 (0.42) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4373593 0.75 ALDH1A1 (0.50) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4543064 0.70 SIRT2 (0.47) MAPK14EPHX2NR1H4
SCHEMBL6218975 0.69 NPC1 (0.50) NPC1RAB9AGPR139LMNASMN1; SMN2
SCHEMBL4366238 0.67 ALDH1A1 (0.64) NPC1RAB9ALMNASMN1; SMN2
SCHEMBL4539373 0.67 ALDH1A1 (0.64) NPC1RAB9ALMNASMN1; SMN2

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 6 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-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 MAPK14 4434/4885HDAC8 1888/4885NPC1 107/4885
US-20060014836-A1 Substituted aryl thioureas and related compounds; inhibitors of viral replication NAT1, PIGS, SLC10A1 MAPK14 4516/4885HDAC8 1949/4885NPC1 151/4885

“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.