SCHEMBL3207880

SCHEMBL3207880

O=C(O)NS(=O)(=O)NCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
CYP2D6 P10635 1/20 0.47
EPHX1 P07099 4/20 0.43
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 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
SCHEMBL3212910 0.90 KMT2A (0.43) KMT2ACYP2D6ALDH1A1MEN1LMNA
SCHEMBL6960982 0.77 CA12 (0.55) KMT2AEPHX1CA2CA12CA1
SCHEMBL2589325 0.74 KMT2A (0.47) KMT2ACYP2D6EPHX1CA2CA12
SCHEMBL22404274 0.74 CA12 (0.55) KMT2AEPHX1CA2CA12CA1
SCHEMBL3195507 0.73 HTT (0.51) KMT2AALDH1A1SMN1; SMN2MEN1USP2
SCHEMBL2839524 0.71 CYP2D6 (0.81) CYP2D6EPHX1CA2CA12CA1
SCHEMBL8395181 0.71 CYP2D6 (0.81) CYP2D6EPHX1CA2CA12CA1
SCHEMBL11084899 0.71 CYP2D6 (0.81) CYP2D6EPHX1CA2CA12CA1
SCHEMBL5120716 0.71 CA12 (0.64) KMT2AEPHX1CA2CA12CA1
SCHEMBL963235 0.70 CA2 (0.46) KMT2ACYP2D6EPHX1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 US disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (4 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 KMT2A 1809/4885CYP2D6 304/4885EPHX1 1630/4885
US-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 KMT2A 2787/4885CYP2D6 2131/4885EPHX1 920/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 KMT2A 2989/4885CYP2D6 1891/4885EPHX1 1133/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 KMT2A 2787/4885CYP2D6 2131/4885EPHX1 920/4885

“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.