SCHEMBL3209450

SCHEMBL3209450

O=S(=O)(c1ccc(F)cc1F)N1CCC(Oc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 6/20 0.51
HTR2A P28223 4/20 0.51
SCN3A Q9NY46 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.46
EPHX2 P34913 1/20 0.45
ACLY P53396 1/20 0.45
PKM P14618 1/20 0.44
PKLR P30613 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KCNH2 Q12809 1/20 0.43
FPR2 P25090 1/20 0.43
PROKR1 Q8TCW9 1/20 0.43
TRPV4 Q9HBA0 1/20 0.42
MMP2 P08253 1/20 0.42
MMP13 P45452 1/20 0.42
FAAH O00519 1/20 0.42

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
SCHEMBL3207441 0.81 FAAH (0.52) HTR2CHTR2AACLYKCNH2MMP2
SCHEMBL3215398 0.80 TP53 (0.57) HTR2CHTR2ASCN3ASMN1; SMN2TP53
SCHEMBL3201949 0.77 EPHX2 (0.50) HTR2CHTR2ASMN1; SMN2EPHX2ACLY
SCHEMBL3223105 0.76 KMT2A (0.60) SMN1; SMN2ACLYALDH1A1MMP2MMP13
SCHEMBL3198980 0.75 NPC1 (0.61) EPHX2PKMALDH1A1
SCHEMBL24711308 0.75 HTR2A (0.53) HTR2CHTR2ASMN1; SMN2EPHX2PKM
SCHEMBL3213866 0.75 HTR2C (0.55) HTR2CHTR2ASCN3ASMN1; SMN2TP53
SCHEMBL3209965 0.75 LMNA (0.58) HTR2CHTR2ASMN1; SMN2TP53PKM
SCHEMBL3217954 0.74 MAPT (0.57) HTR2CHTR2AACLYPKMALDH1A1
SCHEMBL11944436 0.73 POLB (0.59) SMN1; SMN2PKMALDH1A1MAPT

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 HTR2C 1366/4885HTR2A 2280/4885SCN3A 2214/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR2C 806/4885HTR2A 1356/4885SCN3A 1811/4885

“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.