SCHEMBL3215928

SCHEMBL3215928

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C(F)(F)F)CC2)cc1)N1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 5/20 0.60
▸ F13A1 P00488 1/20 0.55
▸ TGM2 P21980 1/20 0.55
▸ TGM1 P22735 1/20 0.55
▸ TRPV1 Q8NER1 2/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ USP2 O75604 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ MCOLN3 Q8TDD5 1/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ LMNA P02545 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ SMN1; SMN2 Q16637 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
SCHEMBL3217977 0.86 HSD11B1 (0.66) HSD11B1KMT2AMAPTMEN1
SCHEMBL3213275 0.81 KMT2A (0.70) KMT2AALDH1A1HTTCYP3A4CYP2C19
SCHEMBL3213328 0.79 HSD11B1 (0.80) HSD11B1ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3213283 0.77 CA12 (0.73) HSD11B1F13A1TGM2TGM1TRPV1
SCHEMBL4486893 0.76 HSD11B1 (1.00) HSD11B1KMT2AHTTMAPTPOLB
SCHEMBL3222991 0.74 HSD11B1 (0.72) HSD11B1HTT
SCHEMBL3209913 0.74 HSD11B1 (0.72) HSD11B1KMT2AALDH1A1HTTMAPT
SCHEMBL3223548 0.73 HSD11B1 (0.72) HSD11B1HTT
SCHEMBL13489671 0.72 HSD11B1 (0.69) HSD11B1KMT2AMEN1
SCHEMBL1874092 0.71 F13A1 (0.64) F13A1TGM2TGM1

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 HSD11B1 1/4885F13A1 3898/4885TGM2 2164/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885F13A1 3856/4885TGM2 2399/4885

“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.

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