SCHEMBL3221883

SCHEMBL3221883

O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1)N1CCCCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ RAB9A P51151 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ CA12 O43570 3/20 0.53
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ CA9 Q16790 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ PANK3 Q9H999 1/20 0.52
▸ GLA P06280 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ HSD11B1 P28845 1/20 0.50
▸ TNF P01375 1/20 0.50
▸ NOD1 Q9Y239 1/20 0.50
▸ LMNA P02545 1/20 0.49

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 0.84 HSD11B1 (0.66) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL3213275 0.83 KMT2A (0.70) MAPTKMT2AMEN1CA12CA1
SCHEMBL6632925 0.74 CA12 (0.89) MAPTKMT2ARAB9ANPC1CA12
SCHEMBL491293 0.73 KMT2A (1.00) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL2963649 0.71 ALDH1A1 (0.63) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL22581791 0.70 CA12 (1.00) MAPTKMT2ARAB9ANPC1CA12
SCHEMBL16707663 0.69 MAPT (0.68) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL834315 0.69 MAPT (0.81) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL26758590 0.69 CA12 (0.78) MAPTKMT2ARAB9ANPC1CA12
SCHEMBL4508859 0.69 KMT2A (0.90) MAPTKMT2AMEN1RAB9ANPC1

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 MAPT 3352/4885KMT2A 1609/4885MEN1 1354/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 MAPT 3097/4885KMT2A 1591/4885MEN1 1687/4885

“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.

Send feedback