SCHEMBL3076824

SCHEMBL3076824

c1csc(CCCN2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.65
HTT P42858 1/20 0.65
ALDH1A1 P00352 3/20 0.60
SIGMAR1 Q99720 3/20 0.58
POLB P06746 1/20 0.58
GAA P10253 2/20 0.53
GLA P06280 1/20 0.53
TSHR P16473 1/20 0.53
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 1/20 0.49
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
MAPT P10636 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL5253198 0.95 CYP2C19 (0.63) CYP2C19HTTALDH1A1SIGMAR1POLB
SCHEMBL5256238 0.90 HTT (0.69) CYP2C19HTTALDH1A1SIGMAR1POLB
SCHEMBL21742732 0.86 SIGMAR1 (0.56) CYP2C19HTTALDH1A1SIGMAR1LMNA
SCHEMBL9279277 0.85 SIGMAR1 (0.54) CYP2C19HTTALDH1A1SIGMAR1GAA
SCHEMBL9277454 0.85 SIGMAR1 (0.58) CYP2C19ALDH1A1SIGMAR1POLBSMN1; SMN2
SCHEMBL5232155 0.82 SIGMAR1 (0.57) CYP2C19HTTALDH1A1SIGMAR1
SCHEMBL6555514 0.79 HTT (1.00) CYP2C19HTTALDH1A1POLBKDM4E
SCHEMBL9378269 0.78 SIGMAR1 (0.51) CYP2C19HTTSIGMAR1TSHR
SCHEMBL5234241 0.77 ALDH1A1 (0.55) ALDH1A1SIGMAR1TSHRKDM4ESMN1; SMN2
SCHEMBL17346187 0.76 ALDH1A1 (0.97) CYP2C19HTTALDH1A1GAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795290-B2 2-amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2010-09-14 US disclosed
US-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF GENENTECH, INC. (US) 2009-02-19 US disclosed
US-7410988-B2 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof GENENTECH, INC. (US) 2008-08-12 US disclosed
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof SQUARE 1 BANK 2006-03-09 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-20090048313-A1 2-AMIDO-THIAZOLE-BASED COMPOUNDS EXHIBITING ATP-UTILIZING ENZYME INHIBITORY ACTIVITY, AND COMPOSITIONS, AND USES THEREOF ATP5ME, ATP5MG, ATP5MK CYP2C19 199/4885HTT 2915/4885ALDH1A1 554/4885
US-20060052416-A1 2-Amido-thiazole-based compounds exhibiting ATP-utilizing enzyme inhibitory activity, and compositions, and uses thereof ATP5ME, ATP5MG, ATP5MK CYP2C19 199/4885HTT 2915/4885ALDH1A1 554/4885

“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.