SCHEMBL5547233

SCHEMBL5547233

CC1(O)CCC(N2CCC(Cc3ccc(OCc4cscn4)cc3Cl)C2=O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.37
MMP14 P50281 2/20 0.37
FFAR1 O14842 7/20 0.34
GRM5 P41594 1/20 0.33
ACVRL1 P37023 2/20 0.33
ACVR1 Q04771 2/20 0.33
BMPR1B O00238 1/20 0.33
BMPR1A P36894 1/20 0.33
TGFBR1 P36897 1/20 0.33
NMT1 P30419 1/20 0.33
ALOX5 P09917 2/20 0.33
MMP1 P03956 3/20 0.32
ADAM17 P78536 2/20 0.32
ALOX5AP P20292 1/20 0.32
MAOB P27338 2/20 0.32
ACHE P22303 1/20 0.32
MAOA P21397 1/20 0.31
PPARG P37231 1/20 0.31
ADAMTS4 O75173 1/20 0.31
TNF P01375 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 0.87 NMT1 (0.36) MMP13MMP14FFAR1ACVRL1ACVR1
SCHEMBL4513743 0.87 GRM5 (0.36) MMP13MMP14FFAR1GRM5NMT1
SCHEMBL4525260 0.86 ERBB2 (0.33) MMP13MMP14FFAR1ACVRL1ACVR1
SCHEMBL4513747 0.83 MMP13 (0.38) MMP13MMP14FFAR1GRM5NMT1
SCHEMBL4510197 0.83 OPRM1 (0.39)
SCHEMBL13674485 0.83 OPRM1 (0.39)
SCHEMBL4508467 0.83 S1PR1 (0.37) MMP13MMP14FFAR1ACVRL1ACVR1
SCHEMBL4505225 0.83 HSP90AA1 (0.39) ACVRL1ACVR1BMPR1BBMPR1ATGFBR1
SCHEMBL4509399 0.83 MCL1 (0.39) FFAR1ACVRL1ACVR1BMPR1BBMPR1A
SCHEMBL4514955 0.83 S1PR1 (0.40) FFAR1ACVRL1ACVR1BMPR1BBMPR1A

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 3 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
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 MMP13 1022/4885MMP14 405/4885FFAR1 326/4885

“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.