SCHEMBL4501678

SCHEMBL4501678

CC1(O)CCC(N2CCC(Cc3ccc(OCCNC(=O)O)cc3Cl)C2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 1/20 0.36
ATF4 P18848 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 2/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
HSD11B1 P28845 1/20 0.34
FFAR1 O14842 3/20 0.34
CXCR3 P49682 1/20 0.33
GAA P10253 1/20 0.33
KLKB1 P03952 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
SCHEMBL4511934 0.92 CXCR3 (0.40) CXCR3
SCHEMBL13674553 0.92 CXCR3 (0.40) CXCR3
SCHEMBL13674551 0.90 PDK2 (0.42) FFAR4S1PR1S1PR3
SCHEMBL4509399 0.88 MCL1 (0.39) FFAR4ALDH1A1KDM4EBMPR1BBMPR1A
SCHEMBL4514955 0.88 S1PR1 (0.40) FFAR4ALDH1A1KDM4EBMPR1BBMPR1A
SCHEMBL13674555 0.88 CXCR3 (0.42) CXCR3
SCHEMBL5547214 0.88 CXCR3 (0.42) CXCR3
SCHEMBL13674552 0.88 ACVRL1 (0.36) FFAR4ALDH1A1KDM4EBMPR1BBMPR1A
SCHEMBL4515543 0.87 SLC6A9 (0.41) ALDH1A1LMNAMEN1KMT2AHSD11B1
SCHEMBL13674556 0.87 SLC6A9 (0.41) ALDH1A1LMNAMEN1KMT2AHSD11B1

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 2 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
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 FFAR4 1012/4885ALDH1A1 51/4885KDM4E 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.