SCHEMBL5657050

SCHEMBL5657050

O=S(=O)(c1cc[c]cc1)N1CCSCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
MAPT P10636 1/20 0.42
POLB P06746 3/20 0.41
PKM P14618 2/20 0.41
NPC1 O15118 1/20 0.41
PKLR P30613 1/20 0.41
RAB9A P51151 1/20 0.41
HTT P42858 1/20 0.41
PNMT P11086 1/20 0.40

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
SCHEMBL421626 0.82 USP2 (0.63) LMNAALDH1A1USP2MAPTPOLB
SCHEMBL1229961 0.82 USP2 (0.69) LMNAALDH1A1USP2MAPTPOLB
SCHEMBL4729326 0.81 MAPT (0.64) LMNAALDH1A1USP2MAPTPKM
SCHEMBL2122633 0.81 USP2 (0.73) LMNAL3MBTL1ALDH1A1USP2MAPT
SCHEMBL3045649 0.81 L3MBTL1 (0.62) LMNAL3MBTL1ALDH1A1POLBPKM
SCHEMBL76639 0.81 USP2 (0.73) LMNAL3MBTL1ALDH1A1USP2MAPT
SCHEMBL18410347 0.78 LMNA (0.87) LMNAL3MBTL1ALDH1A1POLBPKM
SCHEMBL391396 0.78 POLB (0.68) LMNAL3MBTL1ALDH1A1USP2POLB
SCHEMBL4009699 0.78 L3MBTL1 (0.63) LMNAL3MBTL1ALDH1A1USP2ABCC9
SCHEMBL3568679 0.78 POLB (0.68) LMNAL3MBTL1USP2POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018042377-A1 NOVEL INDAZOLE COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2018-03-08 WO claimed
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR LMNA 4822/4885L3MBTL1 3375/4885ALDH1A1 2894/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR LMNA 4775/4885L3MBTL1 3337/4885ALDH1A1 2221/4885

“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.