SCHEMBL6630989

SCHEMBL6630989

CCC([CH]C(=O)O)(C(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
THRB P10828 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR3 O14843 1/20 0.32
ACLY P53396 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL6629781 0.80 ACLY (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL8389141 0.76 MEN1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL11572639 0.74 ALDH1A1 (0.36) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL27729991 0.74 ALDH1A1 (0.32) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL17392941 0.72 FFAR3 (0.35) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL7518163 0.70
SCHEMBL17392752 0.70 FFAR3 (0.33) ALDH1A1FFAR3ACLYL3MBTL1TSHR
SCHEMBL11338501 0.68
SCHEMBL28694012 0.67
SCHEMBL28746064 0.65 FFAR3 (0.39) ALDH1A1MEN1CYP1A2THRBKMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10759749-B2 Therapeutic agent for diabetes JCR PHARMACEUTICALS CO., LTD. (JP) 2020-09-01 US disclosed
EP-3508474-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR Pharmaceuticals Co., Ltd. (JP) 2019-07-10 EP disclosed
US-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES JCR PHARMACEUTICALS CO., LTD. (JP) 2019-07-04 US disclosed
US-20040231558-A1 Has a clear hue, high light fastness and high moisture resistance MITSUI CHEMICALS, INC. (JP) 2004-11-25 US disclosed
EP-1441013-A1 WATERCOLOR INK Mitsui Chemicals, Inc. (JP) 2004-07-28 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 (2 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-20190202781-A1 NOVEL THERAPEUTIC AGENT FOR DIABETES GPR119, IAPP, DPP4 ALDH1A1 323/4885MEN1 4253/4885CYP1A2 4614/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 ALDH1A1 176/4885MEN1 3662/4885CYP1A2 3926/4885

“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.