SCHEMBL4510722

SCHEMBL4510722

CC1(O)CCC(N2CCC(Cc3ccc(OCC(=O)NCc4cccnc4)cc3Cl)C2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
VNN1 O95497 1/20 0.42
HTT P42858 2/20 0.41
NAMPT P43490 1/20 0.41
POLB P06746 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
P2RX7 Q99572 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4509276 0.91 ALDH1A1 (0.40) ALDH1A1HPGDKDM4EGAAKMT2A
SCHEMBL4508294 0.88 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL4511295 0.87 MAPT (0.46) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL5543837 0.86 P2RX7 (0.43) CYP2C9P2RX7
SCHEMBL4500860 0.85 ALDH1A1 (0.39) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL4504293 0.84 ALDH1A1 (0.41) ALDH1A1GAAKMT2APOLBSMN1; SMN2
SCHEMBL4511140 0.84 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EHSD17B10CASP1
SCHEMBL4524136 0.83 HSD11B1 (0.50) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL4511135 0.82 ATF4 (0.47) ALDH1A1HPGDKDM4EHSD17B10GAA
SCHEMBL4509399 0.82 MCL1 (0.39) ALDH1A1HPGDKDM4EHSD17B10GLA

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 ALDH1A1 51/4885HPGD 63/4885KDM4E 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.