SCHEMBL4518964

SCHEMBL4518964

CC1(O)CCC(N2CCC(Cc3ccc(-c4ccc(NS(C)(=O)=O)cc4)cc3Cl)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
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
EPHX2 P34913 11/20 0.35
NR1H4 Q96RI1 9/20 0.35
SCN9A Q15858 1/20 0.35
KIF11 P52732 1/20 0.35
TDP2 O95551 1/20 0.35
MAP3K7 O43318 1/20 0.33
TAB1 Q15750 1/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 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
SCHEMBL13674563 1.00 BMPR1B (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4507642 0.93 EPHX2 (0.41) EPHX2NR1H4GAAHPGDMAPK1
SCHEMBL4528144 0.87 ACVRL1 (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13674541 0.87 ACVRL1 (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4528168 0.87 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13674531 0.87 BMPR1B (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL5543796 0.84 HSD11B1 (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13674535 0.84 HSD11B1 (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL13674533 0.84 ACVRL1 (0.36) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4518204 0.84 ACVRL1 (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1

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 BMPR1B 3003/4885BMPR1A 2912/4885TGFBR1 1849/4885

“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.