SCHEMBL3207441

SCHEMBL3207441

O=S(=O)(c1ccccc1Cl)N1CCC(Oc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.52
ACLY P53396 1/20 0.51
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HTR2C P28335 3/20 0.47
TSHR P16473 1/20 0.47
HTR2A P28223 2/20 0.46
CCR1 P32246 2/20 0.46
KCNH2 Q12809 1/20 0.46
CHRM4 P08173 2/20 0.45
MMP2 P08253 1/20 0.45

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
SCHEMBL3201949 0.89 EPHX2 (0.50) FAAHACLYHDAC3HDAC4HDAC1
SCHEMBL3217954 0.86 MAPT (0.57) ACLYHTR2CHTR2ACCR1KCNH2
SCHEMBL3223105 0.86 KMT2A (0.60) ACLYMMP2MMP13
SCHEMBL3198980 0.85 NPC1 (0.61)
SCHEMBL3209965 0.82 LMNA (0.58) HTR2CHTR2AKCNH2
SCHEMBL3224285 0.81 HTR6 (0.50) ACLYHTR2CHTR2AKCNH2MMP2
SCHEMBL3209450 0.81 HTR2C (0.51) FAAHACLYHTR2CHTR2AKCNH2
SCHEMBL3221859 0.80 MEN1 (0.60) HTR2CHTR2AKCNH2
SCHEMBL3213866 0.80 HTR2C (0.55) HTR2CHTR2AKCNH2
SCHEMBL3225853 0.79 CNR1 (0.54) ACLYHTR2CHTR2AKCNH2

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 FAAH 163/4885ACLY 1968/4885HDAC3 273/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 FAAH 105/4885ACLY 2169/4885HDAC3 266/4885

“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.