SCHEMBL13778166

SCHEMBL13778166

COC(=O)CCSCc1ccc(C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 2/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
ACE P12821 1/20 0.44
ALDH1A1 P00352 6/20 0.44
PKM P14618 1/20 0.44
EPHX1 P07099 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
EPHX2 P34913 1/20 0.43
KMT2A Q03164 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP2C19 P33261 1/20 0.42

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
SCHEMBL13778156 0.86 LMNA (0.51) SMN1; SMN2LMNAMAPTTDP1ACE
SCHEMBL13870200 0.83 ALDH1A1 (0.60) SMN1; SMN2LMNAMAPTTDP1ABL1
SCHEMBL13778164 0.83 CYP2C19 (0.64) SMN1; SMN2ACEEPHX1EPHX2NR1H4
SCHEMBL3702124 0.81 MEN1 (0.56) SMN1; SMN2LMNAMAPTALDH1A1PKM
SCHEMBL7018387 0.81 LMNA (0.56) SMN1; SMN2LMNAMAPTTDP1ABL1
SCHEMBL8895881 0.81 CYP2C19 (0.66) SMN1; SMN2LMNAMAPTALDH1A1RAB9A
SCHEMBL2008590 0.79 NR1H4 (0.54) SMN1; SMN2LMNAMAPTALDH1A1NPC1
SCHEMBL10998413 0.78 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTTDP1ABL1
SCHEMBL4031538 0.78 PPARG (0.42) SMN1; SMN2LMNAMAPTTDP1ABL1
SCHEMBL13778155 0.76 HTT (0.56) SMN1; SMN2LMNAACEALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 SMN1; SMN2 4589/4885LMNA 1664/4885MAPT 4817/4885

“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.