SCHEMBL4514682

SCHEMBL4514682

O=C1C(Cc2c(Cl)cccc2Cl)CCN1C12CC3CC(CC(C(=O)O)(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 5/20 0.37
EPHX2 P34913 1/20 0.34
RBP4 P02753 1/20 0.34
DGAT1 O75907 1/20 0.34
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
HPGD P15428 1/20 0.33
P2RX7 Q99572 1/20 0.33
IDE P14735 1/20 0.33

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
SCHEMBL4501748 0.89 LMNA (0.35) ALDH1A1SMN1; SMN2MAPTKMT2AHSD11B1
SCHEMBL4507429 0.85 EPHX2 (0.37) ALDH1A1SMN1; SMN2MAPTKMT2AHSD11B1
SCHEMBL4520440 0.84 IDE (0.35) ALDH1A1SMN1; SMN2KMT2AHSD11B1EPHX2
SCHEMBL4504367 0.82 EPHX2 (0.31) ALDH1A1SMN1; SMN2KMT2AHSD11B1EPHX2
SCHEMBL4501207 0.78 P2RX7 (0.34) ALDH1A1SMN1; SMN2MAPTKMT2AHSD11B1
SCHEMBL4519727 0.77 HSD11B1 (0.35) ALDH1A1SMN1; SMN2MAPTKMT2AHSD11B1
SCHEMBL14365292 0.77 HSD11B1 (0.36) HSD11B1EPHX2
SCHEMBL4502450 0.70 OPRM1 (0.39) HSD11B1
SCHEMBL5127854 0.69 P2RX7 (0.38) GAAALDH1A1SMN1; SMN2HSD11B1EPHX2
SCHEMBL13674410 0.69 HSD11B1 (0.56) GAAALDH1A1SMN1; SMN2MAPK1KMT2A

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 GAA 1261/4885ALDH1A1 51/4885SMN1; SMN2 4487/4885

“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.