SCHEMBL6631989

SCHEMBL6631989

[CH2]CC(CC(C)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAALAD2 Q9Y3Q0 3/20 0.43
FOLH1 Q04609 2/20 0.43
ENPEP Q07075 2/20 0.43
GABRR1 P24046 2/20 0.39
CYP1A2 P05177 1/20 0.39
SLC1A3 P43003 3/20 0.39
SLC1A2 P43004 3/20 0.39
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SLC1A1 P43005 2/20 0.36

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
SCHEMBL14998130 0.85 SLC1A3 (0.50) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL11615292 0.85 SLC1A3 (0.50) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL13377666 0.85 SLC1A3 (0.50) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL10717427 0.83 SLC1A3 (0.56) SLC1A3SLC1A2CHRM1AKR1A1CHRM3
SCHEMBL21295928 0.80 SLC1A3 (0.54) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL14541298 0.78 GABRR1 (0.52) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL117765 0.78 SLC1A3 (0.58) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL19557766 0.78 GABRR1 (0.52) NAALAD2FOLH1ENPEPGABRR1CYP1A2
SCHEMBL6632541 0.77 ENPEP (0.37) FOLH1ENPEPSLC1A3SLC1A2CHRM1
SCHEMBL28649996 0.76

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 7 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
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN 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 NAALAD2 217/4885FOLH1 1309/4885ENPEP 652/4885
US-10759749-B2 Therapeutic agent for diabetes GPR119, IAPP, DPP4 NAALAD2 323/4885FOLH1 1428/4885ENPEP 668/4885

“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.