SCHEMBL3201753

SCHEMBL3201753

O=S(=O)(c1ccc2c(Cl)cccc2c1)N1CCN(c2cccc(F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.51
LMNA P02545 3/20 0.50
PKM P14618 3/20 0.50
HTT P42858 2/20 0.50
GBA1 P04062 1/20 0.50
PTPN11 Q06124 2/20 0.49
MAPT P10636 5/20 0.47
PKLR P30613 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL3207580 0.81 HSD11B1 (0.72) LMNAHTTGBA1MAPTMEN1
SCHEMBL9093446 0.79 TSHR (0.66) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL9094231 0.76 GBA1 (0.51) ALDH1A1LMNAPKMGBA1PKLR
SCHEMBL8693767 0.73 GBA1 (0.48) ALDH1A1LMNAPKMGBA1PKLR
SCHEMBL31315849 0.72 PKM (0.70) ALDH1A1LMNAPKMPKLRMEN1
SCHEMBL5249712 0.72 LMNA (0.68) ALDH1A1LMNAPKMHTTPTPN11
SCHEMBL20887238 0.71 NPY5R (0.57) ALDH1A1HPGDLMNAHTTSMN1; SMN2
SCHEMBL8692546 0.71 GBA1 (0.46) ALDH1A1LMNAPKMGBA1PKLR
SCHEMBL1617636 0.70 HDAC1 (0.76) LMNAGBA1
SCHEMBL20887056 0.70 HSD17B10 (0.55) ALDH1A1HPGDPTPN11MAPTKMT2A

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 ALDH1A1 116/4885HPGD 79/4885LMNA 3748/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 ALDH1A1 123/4885HPGD 57/4885LMNA 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.