SCHEMBL4515543

SCHEMBL4515543

CC1(O)CCC(N2CCC(Cc3ccc(OCCNS(=O)(=O)c4ccccc4)cc3Cl)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 2/20 0.41
ALDH1A1 P00352 6/20 0.41
HTT P42858 4/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRAS P01112 1/20 0.37
KRAS P01116 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
LMNA P02545 2/20 0.37
HTR1A P08908 2/20 0.36
HTR7 P34969 2/20 0.36
PKM P14618 1/20 0.36
TSHR P16473 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
CA9 Q16790 1/20 0.35
HRH1 P35367 1/20 0.35

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
SCHEMBL13674556 1.00 SLC6A9 (0.41) SLC6A9ALDH1A1HTTMEN1KMT2A
SCHEMBL13675471 0.92 SLC6A9 (0.42) SLC6A9ALDH1A1HTTMEN1KMT2A
SCHEMBL4501678 0.87 FFAR4 (0.36) ALDH1A1MEN1KMT2ALMNAHSD11B1
SCHEMBL4511934 0.86 CXCR3 (0.40) SMN1; SMN2
SCHEMBL13674553 0.86 CXCR3 (0.40) SMN1; SMN2
SCHEMBL4514955 0.84 S1PR1 (0.40) ALDH1A1HTR1AHSD11B1
SCHEMBL13674552 0.83 ACVRL1 (0.36) ALDH1A1HTR1AHSD11B1
SCHEMBL5547531 0.83 HSD11B1 (0.40) HSD11B1
Hydrochloric Acid SCHEMBL4522836 0.83 ACVRL1 (0.36) ALDH1A1HTR1AHSD11B1
SCHEMBL4509399 0.82 MCL1 (0.39) ALDH1A1HRH1CCR3KCNH2HSD11B1

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-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 SLC6A9 1638/4885ALDH1A1 51/4885HTT 3659/4885

“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.