SCHEMBL6502006

SCHEMBL6502006

CC(=S)COC(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
ALDH1A1 P00352 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
KDM4E B2RXH2 2/20 0.54
GAA P10253 2/20 0.54
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
TSHR P16473 2/20 0.53
HPGD P15428 2/20 0.53
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NFKB1 P19838 1/20 0.50

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
SCHEMBL714886 0.84 RAB9A (0.61) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL11063346 0.84 TSHR (0.61) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL4850895 0.81 KDM4E (0.64) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL6354305 0.81 RAB9A (0.57) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL31344419 0.81 RAB9A (0.57) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL27690256 0.80 RAB9A (0.53) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL4586692 0.79 TDP1 (0.63) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL582352 0.79 TDP1 (0.63) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL194520 0.79 TDP1 (0.63) RAB9ANPC1LMNATDP1ALDH1A1
SCHEMBL1344828 0.79 LMNA (0.65) RAB9ANPC1LMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 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 (1 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-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 RAB9A 958/4885NPC1 1275/4885LMNA 3321/4885

“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.