SCHEMBL3224285

SCHEMBL3224285

O=S(=O)(c1csc2ccccc12)N1CCC(Oc2c(Cl)cccc2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.50
ACLY P53396 1/20 0.46
SCN3A Q9NY46 1/20 0.41
HTR2C P28335 4/20 0.41
HTR2A P28223 1/20 0.40
KCNH2 Q12809 1/20 0.40
FPR2 P25090 2/20 0.39
PROKR1 Q8TCW9 2/20 0.39
MMP2 P08253 3/20 0.39
MMP13 P45452 3/20 0.39
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CHRM2 P08172 1/20 0.37

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) ACLYHTR2CHTR2AKCNH2MMP2
SCHEMBL3201949 0.77 EPHX2 (0.50) ACLYHTR2CHTR2AKCNH2MMP2
SCHEMBL3201870 0.77 HTR2C (0.49) ACLYSCN3AHTR2CHTR2AKCNH2
SCHEMBL3222016 0.77 HTR2C (0.49) ACLYSCN3AHTR2CHTR2AKCNH2
SCHEMBL3221924 0.75 HTR2C (0.42) ACLYSCN3AHTR2CHTR2AKCNH2
SCHEMBL3212904 0.75 POLB (0.59) MAPTLMNASMN1; SMN2
SCHEMBL3223105 0.74 KMT2A (0.60) ACLYMMP2MMP13LMNASMN1; SMN2
SCHEMBL3217954 0.74 MAPT (0.57) ACLYHTR2CHTR2AKCNH2FPR2
SCHEMBL11944169 0.74 POLB (0.49) HTR6HTR2AMAPTLMNATP53
SCHEMBL3198980 0.74 NPC1 (0.61) LMNA

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 HTR6 2021/4885ACLY 1968/4885SCN3A 2214/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HTR6 1213/4885ACLY 2169/4885SCN3A 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.