SCHEMBL3210171

SCHEMBL3210171

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.61
HTT P42858 2/20 0.58
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD11B1 P28845 1/20 0.56
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
CNR1 P21554 1/20 0.54
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.53
PKM P14618 1/20 0.52
PKLR P30613 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
KMT2A Q03164 1/20 0.48

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
SCHEMBL3223484 0.88 HTR2A (0.53) RBP4HTTLMNASMN1; SMN2PKM
SCHEMBL3205601 0.87 HSD11B1 (0.57) RBP4LMNAHSD11B1KDM4ECNR1
SCHEMBL3205508 0.86 KMT2A (0.54) RBP4HSD11B1KDM4EGAAHPGD
SCHEMBL3201836 0.83 LMNA (0.60) RBP4HTTLMNASMN1; SMN2HSD11B1
SCHEMBL3219555 0.83 HSD11B1 (0.64) RBP4LMNASMN1; SMN2HSD11B1KMT2A
SCHEMBL3221289 0.81 HSD11B1 (0.64) RBP4LMNAHSD11B1GAAKMT2A
SCHEMBL3215762 0.81 GPR183 (0.53) RBP4HSD11B1KDM4ECYP2C19GAA
SCHEMBL3209386 0.81 HSD11B1 (0.55) RBP4HTTLMNAHSD11B1PKM
SCHEMBL3225759 0.81 RBP4 (0.46) RBP4HSD11B1KDM4EHPGDKMT2A
SCHEMBL1471495 0.81 TP53 (0.62) HTTLMNASMN1; SMN2HSD11B1KDM4E

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 RBP4 2175/4885HTT 1959/4885LMNA 3748/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 RBP4 2329/4885HTT 1640/4885LMNA 3681/4885

“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.