SCHEMBL4525260

SCHEMBL4525260

CC1(O)CCC(N2CCC(Cc3ccc(OCc4csc(CO)n4)cc3Cl)C2=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
MMP1 P03956 3/20 0.31
ADAM17 P78536 2/20 0.31
ADAMTS4 O75173 1/20 0.31
TNF P01375 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL4510001 0.91 NMT1 (0.36) NPC1MAPTRAB9ABMPR1BBMPR1A
SCHEMBL4515820 0.86 GSK3B (0.35) NPC1MAPTRAB9ABMPR1BBMPR1A
SCHEMBL5547233 0.86 MMP13 (0.37) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4508467 0.84 S1PR1 (0.37) BMPR1AACVRL1ACVR1MMP1ADAM17
SCHEMBL4509857 0.82 HSD11B1 (0.47) NPC1MAPTRAB9AFFAR1PREP
SCHEMBL4514955 0.82 S1PR1 (0.40) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4513996 0.82 MAOB (0.42) ACVR1S1PR1MAOAMAOB
SCHEMBL13674485 0.81 OPRM1 (0.39) MAPT
SCHEMBL4510197 0.81 OPRM1 (0.39) MAPT
SCHEMBL4505225 0.80 HSP90AA1 (0.39) 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 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 ERBB2 4857/4885EPHA2 3625/4885KDR 4457/4885

“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.