SCHEMBL5065392

SCHEMBL5065392

Cc1cc(SC(C)C)c(NC(=O)CSc2nc3cccc(C(F)(F)F)c3o2)c(SC(C)C)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
NPC1 O15118 3/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
USP2 O75604 2/20 0.41
SOAT1 P35610 2/20 0.39
MAPT P10636 4/20 0.39
TSHR P16473 3/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4981799 0.92 SOAT1 (0.48) SOAT1
SCHEMBL4985305 0.90 SOAT1 (0.51) SOAT1
SCHEMBL4981653 0.90 SOAT1 (0.52) SOAT1
SCHEMBL4985331 0.90 SOAT1 (0.52) SOAT1
SCHEMBL4988441 0.90 SOAT1 (0.52) SOAT1
SCHEMBL4984236 0.90 SOAT1 (0.52) SOAT1
SCHEMBL4985821 0.88 SOAT1 (0.51) RAB9ASMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL4983288 0.87 RAB9A (0.46) RAB9ASMN1; SMN2ALDH1A1POLBNPC1
SCHEMBL6280562 0.86 SOAT1 (0.58) ALDH1A1SOAT1MAPT
SCHEMBL4983460 0.84 RAB9A (0.46) RAB9ASMN1; SMN2ALDH1A1POLBNPC1

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
US-7414066-B2 Amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2008-08-19 US disclosed
US-7393866-B2 Amide compounds and medications containing the same KOWA COMPANY, LTD. (JP) 2008-07-01 US disclosed
EP-0979823-B1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2006-03-29 EP disclosed
US-20050131002-A1 Novel amide compounds and medications containing the same KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-20050131001-A1 Novel amide compounds and medications containing the same technical field KOWA COMPANY LTD. (JP) 2005-06-16 US disclosed
US-6849647-B1 Amide compounds and medications containing the same technical field KOWA COMPANY, LTD. (JP) 2005-02-01 US disclosed
EP-0979823-A1 NOVEL AMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME Kowa Company Ltd. (JP) 2000-02-16 EP 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-20050131001-A1 Novel amide compounds and medications containing the same technical field ACAT2, SULT2A1, ACAT1 RAB9A 4297/4885SMN1; SMN2 2877/4885ALDH1A1 1256/4885
US-20050131002-A1 Novel amide compounds and medications containing the same ACAT2, SULT2A1, ACAT1 RAB9A 4258/4885SMN1; SMN2 2534/4885ALDH1A1 1410/4885

“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.