SCHEMBL5656834

SCHEMBL5656834

O=S1(=O)CCN(S(=O)(=O)c2[c]cccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.43
POLB P06746 2/20 0.37
TSHR P16473 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX5AP P20292 4/20 0.36
FEN1 P39748 4/20 0.36
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32

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 0.83 TSHR (0.53) TSHRCYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL3982616 0.83 TSHR (0.48) POLBTSHRCYP2C19CYP3A4CYP2C9
SCHEMBL6745871 0.82 POLB (0.57) POLBTSHRSMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL5146481 0.81 TSHR (0.56) TSHRCYP2C19CYP3A4CYP2C9SMN1; SMN2
SCHEMBL6749538 0.79 ALDH1A1 (0.44) POLBTSHRCYP2C19CYP2C9SMN1; SMN2
SCHEMBL5438658 0.79 PKM (0.49) TSHRCYP2C19CYP3A4CYP2C9CYP1A2
SCHEMBL1855017 0.79 KMT2A (0.51) POLBTSHRSMN1; SMN2APOBEC3GKMT2A
SCHEMBL5657049 0.79 L3MBTL1 (0.43) POLBTSHRCYP2C19CYP3A4CYP2C9
SCHEMBL6749705 0.76 ALDH1A1 (0.54) POLBKMT2AALDH1A1PKMLMNA
SCHEMBL6746141 0.75 KMT2A (0.52) POLBTSHRSMN1; SMN2KMT2AALDH1A1

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-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
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US 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 APEX1 4199/4885POLB 3689/4885TSHR 38/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR APEX1 3909/4885POLB 3937/4885TSHR 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.