SCHEMBL3213275

SCHEMBL3213275

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.70
▸ MEN1 O00255 3/20 0.70
▸ LMNA P02545 1/20 0.70
▸ ALOX15 P16050 1/20 0.70
▸ HTT P42858 1/20 0.70
▸ SMN1; SMN2 Q16637 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ CA12 O43570 3/20 0.69
▸ CA1 P00915 3/20 0.69
▸ CA2 P00918 3/20 0.69
▸ CA9 Q16790 3/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ MAPT P10636 3/20 0.66
▸ NAMPT P43490 1/20 0.62
▸ GLA P06280 1/20 0.60
▸ POLB P06746 1/20 0.59
▸ PANK3 Q9H999 1/20 0.58

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
SCHEMBL3221883 0.83 MAPT (0.55) KMT2AMEN1LMNAALOX15HTT
SCHEMBL6632925 0.82 CA12 (0.89) KMT2ASMN1; SMN2CA12CA1CA2
SCHEMBL3215928 0.81 HSD11B1 (0.60) KMT2AMEN1LMNAALOX15HTT
SCHEMBL491293 0.78 KMT2A (1.00) KMT2AMEN1SMN1; SMN2CA12CA1
SCHEMBL22581791 0.77 CA12 (1.00) KMT2ASMN1; SMN2CA12CA1CA2
SCHEMBL18031177 0.77 MAPT (0.75) KMT2AMEN1LMNAALOX15HTT
SCHEMBL3701932 0.77 NAMPT (1.00) KMT2AMAPTNAMPT
SCHEMBL4508859 0.76 KMT2A (0.90) KMT2AMEN1SMN1; SMN2CA12CA1
SCHEMBL26758590 0.76 CA12 (0.78) KMT2ASMN1; SMN2CA12CA1CA2
SCHEMBL5251036 0.74 MAPT (0.75) KMT2AMEN1LMNAALOX15HTT

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 KMT2A 1609/4885MEN1 1354/4885LMNA 3748/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 KMT2A 1591/4885MEN1 1687/4885LMNA 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.

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