SCHEMBL5657049

SCHEMBL5657049

O=S(=O)(c1[c]cccc1)N1CCSCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PKM P14618 2/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 2/20 0.34
GAA P10253 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33

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
SCHEMBL6003121 0.84 TSHR (0.53) LMNATSHRSMN1; SMN2CYP3A4CYP2C9
SCHEMBL3982616 0.84 TSHR (0.48) LMNATSHRSMN1; SMN2CYP3A4CYP2C9
SCHEMBL5438658 0.83 PKM (0.49) LMNATSHRCYP3A4CYP2C9CYP2C19
SCHEMBL5146481 0.83 TSHR (0.56) L3MBTL1LMNATSHRSMN1; SMN2CYP3A4
SCHEMBL6749538 0.80 ALDH1A1 (0.44) LMNATSHRSMN1; SMN2CYP2C9CYP2C19
SCHEMBL1855017 0.80 KMT2A (0.51) LMNATSHRSMN1; SMN2PKMALDH1A1
SCHEMBL6745871 0.80 POLB (0.57) L3MBTL1LMNATSHRSMN1; SMN2CASP7
SCHEMBL5656834 0.79 APEX1 (0.43) LMNATSHRSMN1; SMN2CYP3A4CYP2C9
SCHEMBL6749705 0.78 ALDH1A1 (0.54) LMNAPKMALDH1A1POLB
SCHEMBL6746141 0.76 KMT2A (0.52) LMNATSHRSMN1; SMN2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 3375/4885LMNA 4822/4885TSHR 38/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR L3MBTL1 3337/4885LMNA 4775/4885TSHR 144/4885

“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.