SCHEMBL3217362

SCHEMBL3217362

O=C1CN(S(=O)(=O)c2ccc3ccccc3c2)CCN1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PKM P14618 7/20 0.69
MCOLN3 Q8TDD5 3/20 0.60
TSHR P16473 2/20 0.60
GFER P55789 1/20 0.56
LMNA P02545 3/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
PKLR P30613 1/20 0.52
HTT P42858 1/20 0.52
HSD11B1 P28845 1/20 0.50
ATM Q13315 1/20 0.50

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
SCHEMBL333988 0.82 PKM (1.00) PKMMCOLN3TSHRLMNAMEN1
SCHEMBL2989085 0.82 GFER (0.64) PKMGFERLMNAMEN1KMT2A
Hydrochloric Acid SCHEMBL932094 0.81 PKM (0.97) PKMMCOLN3TSHRLMNAMEN1
SCHEMBL18134604 0.80 MCOLN3 (0.83) PKMMCOLN3TSHRLMNAMEN1
SCHEMBL3225812 0.78 PKM (0.66) PKMGFERHSD11B1
SCHEMBL6793698 0.77 PKM (0.89) PKMMCOLN3TSHRLMNAMEN1
SCHEMBL3169939 0.77 MCOLN3 (0.97) PKMMCOLN3TSHRLMNAMEN1
SCHEMBL3915047 0.76 GLA (0.78) PKMTSHRGFERLMNAHTT
SCHEMBL29764438 0.76 GFER (0.65) PKMGFERLMNA
SCHEMBL3928664 0.76 GFER (0.69) PKMTSHRGFERLMNAMEN1

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 9 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
EP-1981848-A2 11-BETA HSD1 INHIBITORS Wyeth (US) 2008-10-22 EP 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
US-6680312-B2 FOR THERAPY OF CARDIAC INFARCTION, CEREBRAL THROMBOSIS; INHIBIT ACTIVATED COAGULATION FACTOR X (FXA) TO SHOW ANTI-COAGULANT ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-01-20 US disclosed
US-20020193382-A1 Sulfonamide derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-12-19 US disclosed
US-6403595-B1 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-06-11 US disclosed
EP-1054005-A1 SULFONAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-11-22 EP 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 (3 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 PKM 2924/4885MCOLN3 4442/4885TSHR 3335/4885
US-20020193382-A1 Sulfonamide derivatives, their production and use F12, F11, F2 PKM 2642/4885MCOLN3 4643/4885TSHR 1541/4885
US-20070219198-A1 11-Beta HSD 1 inhibitors HSD11B1, HSD11B2, HSD3B1 PKM 2798/4885MCOLN3 4525/4885TSHR 2942/4885

“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.