SCHEMBL6524273

SCHEMBL6524273

CCCCCCCCCCCCCCCCSCC(Nc1nccs1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
HSPA5 P11021 1/20 0.40
CYP2D6 P10635 1/20 0.40
CTSK P43235 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA2A P29274 1/20 0.38
FDPS P14324 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
ICMT O60725 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 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
SCHEMBL6520453 0.80 GMNN (0.40) CYP2C9HSD17B10ICMTMAPT
SCHEMBL3429743 0.76 FAAH (0.39) CYP2C9HSD17B10ICMTMAPT
SCHEMBL12793162 0.76 FDPS (0.38) SMN1; SMN2CYP2C9HSD17B10FDPSICMT
SCHEMBL6521346 0.76 ALOX12 (0.47) SMN1; SMN2CYP1A2CYP2C19CTSKADORA2A
SCHEMBL6522561 0.75 LMNA (0.36) SMN1; SMN2CYP2C9HSD17B10ALDH1A1ICMT
SCHEMBL4456265 0.75 FDPS (0.46) SMN1; SMN2CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL4459655 0.75 FDPS (0.43) SMN1; SMN2HSD17B10FDPSALDH1A1LMNA
SCHEMBL4458435 0.75 FDPS (0.43) SMN1; SMN2HSD17B10FDPSALDH1A1LMNA
SCHEMBL4464682 0.75 FDPS (0.43) SMN1; SMN2HSD17B10FDPSALDH1A1LMNA
SCHEMBL6518242 0.74 ICMT (0.38) CYP2C9HSD17B10ICMTMAPT

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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
US-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2011-03-03 US disclosed
WO-2009102997-A2 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE SIGNUM BIOSCIENCES, INC. (US) 2009-08-20 WO 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-20110053901-A1 ACETYL MIMIC COMPOUNDS FOR THE INHIBITION OF ISOPRENYL-S-CYSTEINYL METHYLTRANSFERASE MPO, CYSLTR1, HNMT L3MBTL1 3444/4885SMN1; SMN2 4449/4885CYP2C9 948/4885

“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.