SCHEMBL3210271

SCHEMBL3210271

O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCN(c2c(Cl)cncc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.43
NAMPT P43490 1/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR2 Q9HBW0 1/20 0.41
ADRB2 P07550 1/20 0.40
NPC1 O15118 1/20 0.40
FPR2 P25090 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5332752 0.85 TP53 (0.48) L3MBTL1NAMPTCYP1A2GAACYP2C9
SCHEMBL5322483 0.83 NAMPT (0.43) L3MBTL1NAMPTCYP1A2GAACYP2C9
SCHEMBL5321672 0.83 MAPK1 (0.47) NAMPTNPC1CYP1A2GAACYP2C9
SCHEMBL16707807 0.83 L3MBTL1 (0.41) L3MBTL1NAMPTNPC1
SCHEMBL5322490 0.80 GPR142 (0.46) NAMPT
SCHEMBL5359415 0.80 HPGD (0.56) NAMPTNPC1
SCHEMBL5325263 0.79 CYP2C9 (0.49) NAMPTCYP1A2GAACYP2C9CYP2C19
SCHEMBL5330616 0.79 ALDH1A1 (0.44) L3MBTL1NAMPTADRB2
SCHEMBL5328948 0.78 ALDH1A1 (0.63) NAMPTADRB2CYP1A2GAACYP2C9
SCHEMBL5323146 0.75 ALDH1A1 (0.49) NAMPTADRB2CYP1A2GAACYP2C9

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007135427-A1 1,4-DISUBSTITUTED PIPERAZINE AND 1,4-DISUBSTITUTED AZEPANE AS 11 -BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS ASTRAZENECA AB (SE) 2007-11-29 WO claimed
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
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP disclosed
WO-2007135427-A1 1,4-DISUBSTITUTED PIPERAZINE AND 1,4-DISUBSTITUTED AZEPANE AS 11 -BETA-HYDROXYSTEROID DEHYDROGENASE 1 INHIBITORS ASTRAZENECA AB (SE) 2007-11-29 WO disclosed
US-20070219198-A1 11-Beta HSD 1 inhibitors WYETH (US) 2007-09-20 US disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO 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 L3MBTL1 1721/4885THRB 930/4885NAMPT 812/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 L3MBTL1 2300/4885THRB 743/4885NAMPT 897/4885

“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.