SCHEMBL3201949

SCHEMBL3201949

O=S(=O)(c1ccccc1Br)N1CCC(Oc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.50
CCR1 P32246 2/20 0.48
ACLY P53396 1/20 0.47
TSHR P16473 3/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
FAAH O00519 2/20 0.45
MMP2 P08253 3/20 0.44
MMP13 P45452 3/20 0.44
HTR2C P28335 2/20 0.44
HTR2A P28223 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 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 0.89 FAAH (0.52) CCR1ACLYTSHRFAAHMMP2
SCHEMBL3223105 0.81 KMT2A (0.60) ACLYLMNAMMP2MMP13SMN1; SMN2
SCHEMBL3217954 0.81 MAPT (0.57) CCR1ACLYHTR2CHTR2AKCNH2
SCHEMBL3198980 0.81 NPC1 (0.61) EPHX2HTTLMNA
SCHEMBL3223475 0.78 MAPT (0.48) EPHX2TSHRHTTLMNAHTR2C
SCHEMBL3209965 0.77 LMNA (0.58) MAPK1LMNAHTR2CHTR2AKCNH2
SCHEMBL3224285 0.77 HTR6 (0.50) ACLYLMNAMMP2MMP13HTR2C
SCHEMBL3209450 0.77 HTR2C (0.51) EPHX2ACLYFAAHMMP2MMP13
SCHEMBL3221859 0.75 MEN1 (0.60) HTTLMNAHTR2CHTR2AKCNH2
SCHEMBL3213866 0.75 HTR2C (0.55) MAPK1HTR2CHTR2AKCNH2SMN1; SMN2

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 EPHX2 867/4885CCR1 1891/4885ACLY 1968/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 EPHX2 713/4885CCR1 1514/4885ACLY 2169/4885

“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.