SCHEMBL5996876

SCHEMBL5996876

CC(C)(C)C1CCc2nc3sc(S(C)(=O)=O)c(N)c3cc2C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.48
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 9/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
LMNA P02545 4/20 0.46
HPGD P15428 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 10/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 7/20 0.39
TP53 P04637 2/20 0.39
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 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
SCHEMBL5997088 0.87 RORC (0.42) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13954541 0.83 RORC (0.46) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5996866 0.81 RORC (0.37) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4704464 0.80 RAB9A (0.62) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL4704685 0.79 MAPT (0.61) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13154827 0.79 MAPT (0.46) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL22690991 0.79 MAPT (0.61) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL29423180 0.79 MAPT (0.61) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5997266 0.78 MAPT (0.66) RORCKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL5995320 0.77 RORC (0.37) RORCALDH1A1SMN1; SMN2NPSR1MAPK1

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-20060247320-A1 Compounds for inhibiting KSP kinesin activity SCHERING CORPORATION 2006-11-02 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-20060247320-A1 Compounds for inhibiting KSP kinesin activity KIFC1, KIF5B, KIF2C RORC 2343/4885KDM4E 501/4885ALDH1A1 2371/4885

“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.