SCHEMBL4515447

SCHEMBL4515447

O=C1C(Cc2ccc(OCc3ccc(CO)cc3)cc2Cl)CCN1C1CCC(CO)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.39
S1PR5 Q9H228 3/20 0.39
PRKX P51817 1/20 0.39
ACVR1 Q04771 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SPHK1 Q9NYA1 7/20 0.36
SPHK2 Q9NRA0 7/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HSD11B1 P28845 1/20 0.36
FFAR1 O14842 3/20 0.35
SLC6A5 Q9Y345 1/20 0.35
PIM1 P11309 1/20 0.34
PDGFRA P16234 1/20 0.34

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
SCHEMBL4504216 0.91 HSD11B1 (0.47) S1PR1S1PR5PRKXACVR1MAOA
SCHEMBL14365300 0.87 MAOB (0.39) S1PR1S1PR5PRKXACVR1MAOA
SCHEMBL4508467 0.86 S1PR1 (0.37) S1PR1S1PR5PRKXACVR1MAOA
SCHEMBL4510560 0.85 HSD11B1 (0.41) S1PR1S1PR5PRKXACVR1MAOA
SCHEMBL4513743 0.83 GRM5 (0.36) MAOAMAOBHSD11B1FFAR1
SCHEMBL4512383 0.82 HSD11B1 (0.40) HSD11B1FFAR1
SCHEMBL2996004 0.81 P2RX7 (0.43) HSD11B1FFAR1
SCHEMBL2992277 0.81 P2RX7 (0.43) HSD11B1FFAR1
SCHEMBL4519338 0.81 HSD11B1 (0.60) S1PR1S1PR5PRKXACVR1MAOA
SCHEMBL4500417 0.81 HSD11B1 (0.47) S1PR1S1PR5PRKXACVR1HRH3

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 1 patent. 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

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 S1PR1 521/4885S1PR5 823/4885PRKX 3496/4885

“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.