SCHEMBL4514429

SCHEMBL4514429

O=C1C(Cc2ccc(N(S(=O)(=O)c3ccccc3)S(=O)(=O)c3ccccc3)cc2Cl)CCN1C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.52
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SIGMAR1 Q99720 1/20 0.34
PTPRC P08575 1/20 0.34
NR1H2 P55055 1/20 0.34
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1I2 O75469 1/20 0.33
NLRP3 Q96P20 1/20 0.33
CMA1 P23946 2/20 0.33
CTSG P08311 1/20 0.33
LMNA P02545 1/20 0.33
NR3C1 P04150 1/20 0.33
ABCB1 P08183 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32

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
SCHEMBL4526071 0.86 HSD11B1 (0.47) HSD11B1ALDH1A1MEN1KMT2AHTT
SCHEMBL4509889 0.81 HSD11B1 (0.51) HSD11B1ALDH1A1KDM4EKMT2ASIGMAR1
SCHEMBL4515881 0.81 HSD11B1 (0.57) HSD11B1ALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL4511217 0.81 HSD11B1 (0.52) HSD11B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL3554331 0.79 HSD11B1 (0.60) HSD11B1
SCHEMBL4507389 0.79 HSD11B1 (0.49) HSD11B1ALDH1A1KMT2ASIGMAR1LMNA
SCHEMBL3000826 0.78 HSD11B1 (0.56) HSD11B1SIGMAR1
SCHEMBL2991795 0.78 HSD11B1 (0.56) HSD11B1SIGMAR1
SCHEMBL2995925 0.78 HSD11B1 (0.65) HSD11B1ALDH1A1LMNAGAACYP3A4
SCHEMBL3554597 0.78 HSD11B1 (0.67) HSD11B1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
US-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-22 US disclosed
EP-1864971-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2007-12-12 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 (1 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-20090264650-A1 Prophylactic/Therapeutic Agent for Diabetes HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885ALDH1A1 51/4885KDM4E 2703/4885

“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.