SCHEMBL3220016

SCHEMBL3220016

Cc1ccc(S(=O)(=O)N2CCC(Oc3c(C)cccc3Cl)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
FPR2 P25090 2/20 0.53
PROKR1 Q8TCW9 2/20 0.53
MAPT P10636 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 5/20 0.50
PKM P14618 2/20 0.48
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 2/20 0.47
HTT P42858 2/20 0.47
HTR2A P28223 1/20 0.47

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
SCHEMBL3221859 0.94 MEN1 (0.60) MEN1KMT2AFPR2PROKR1MAPT
SCHEMBL3215019 0.92 MEN1 (0.61) MEN1KMT2AFPR2PROKR1MAPT
SCHEMBL3209965 0.83 LMNA (0.58) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3222003 0.82 HTR2C (0.62) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3210439 0.81 MEN1 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3213866 0.79 HTR2C (0.55) MEN1KMT2AFPR2PROKR1MAPT
SCHEMBL3222471 0.78 MEN1 (0.69) MEN1KMT2AFPR2PROKR1MAPT
SCHEMBL3223475 0.78 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3202101 0.78 SMN1; SMN2 (0.64) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3215398 0.78 TP53 (0.57) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029648-A1 11-Beta HSD1 Inhibitors XIANG JASON SHAOYUN 2010-02-04 US disclosed
US-7632838-B2 11-beta HSD1 inhibitors WYETH (US) 2009-12-15 US disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 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-20100029648-A1 11-Beta HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 MEN1 1354/4885KMT2A 1609/4885FPR2 3918/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MEN1 1687/4885KMT2A 1591/4885FPR2 3342/4885

“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.