SCHEMBL3201836

SCHEMBL3201836

O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
MCOLN3 Q8TDD5 3/20 0.60
HSD11B1 P28845 2/20 0.58
TSHR P16473 2/20 0.54
PKM P14618 5/20 0.52
PKLR P30613 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL3219555 0.86 HSD11B1 (0.64) LMNAHSD11B1TSHRMEN1KMT2A
SCHEMBL3205508 0.84 KMT2A (0.54) HSD11B1TSHRMEN1KMT2AKDM4E
SCHEMBL3223484 0.83 HTR2A (0.53) LMNATSHRPKMPKLRMEN1
SCHEMBL3210171 0.83 RBP4 (0.61) LMNAHSD11B1PKMPKLRKMT2A
SCHEMBL3213922 0.83 HSD11B1 (0.67) LMNAMCOLN3HSD11B1TSHRPKM
SCHEMBL3209386 0.83 HSD11B1 (0.55) LMNAHSD11B1PKMMEN1KMT2A
SCHEMBL3215762 0.83 GPR183 (0.53) HSD11B1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3225759 0.83 RBP4 (0.46) HSD11B1MEN1KMT2AKDM4EALDH1A1
SCHEMBL3224467 0.82 HSD11B1 (0.57) HSD11B1PKMPKLRMEN1KMT2A
SCHEMBL3225970 0.82 MEN1 (0.56) MEN1KMT2AMAPTRBP4

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 LMNA 3748/4885MCOLN3 4442/4885HSD11B1 1/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 LMNA 3681/4885MCOLN3 4525/4885HSD11B1 1/4885

“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.