SCHEMBL4515879

SCHEMBL4515879

C[S+]([O-])c1ccccc1CC1CCN(C2CCCCC2)C1=O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.61
ALDH1A1 P00352 5/20 0.36
TP53 P04637 2/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 4/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MCOLN3 Q8TDD5 2/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 2/20 0.33
OPRL1 P41146 2/20 0.33
MEN1 O00255 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
SCHEMBL3545737 0.82 HSD11B1 (0.67) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL3543212 0.81 HSD11B1 (0.68) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL2993380 0.80 HSD11B1 (0.67) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL3554597 0.80 HSD11B1 (0.67) HSD11B1ALDH1A1LMNATSHRKMT2A
SCHEMBL4518739 0.80 HSD11B1 (0.67) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4505867 0.80 HSD11B1 (0.67) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL4526061 0.80 HSD11B1 (0.67) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL3547913 0.80 HSD11B1 (0.67) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL2989132 0.79 HSD11B1 (0.62) HSD11B1ALDH1A1TP53GAANPSR1
SCHEMBL14365262 0.79 HSD11B1 (0.62) HSD11B1ALDH1A1TP53GAANPSR1

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 51/4885TP53 3134/4885

“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.