SCHEMBL3871128

SCHEMBL3871128

CCN(CC(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
EYA2 O00167 1/20 0.36
APP P05067 1/20 0.36
ACE P12821 1/20 0.36
ADRA1A P35348 2/20 0.35
TSHR P16473 2/20 0.35
CYP2C19 P33261 2/20 0.35
KDM4E B2RXH2 2/20 0.35
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
LMNA P02545 1/20 0.35
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ALOX15 P16050 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL783010 0.87 TDP1 (0.41) FFAR3TDP1EYA2APPACE
SCHEMBL9451184 0.80 FFAR3 (0.36) FFAR3TDP1EYA2APPACE
SCHEMBL12086358 0.80 ALDH1A1 (0.36) TDP1
SCHEMBL7611993 0.79 TSHR (0.36) FFAR3TDP1EYA2APPACE
SCHEMBL17537484 0.79 MEN1 (0.35) FFAR3TDP1EYA2APPACE
SCHEMBL13023088 0.79 TDP1 (0.38) FFAR3TDP1EYA2APPACE
SCHEMBL14199728 0.78 TDP1 (0.35) TDP1EYA2APPACEADRA1A
SCHEMBL22291050 0.78 TDP1 (0.35) TDP1EYA2APPACEADRA1A
SCHEMBL10197374 0.78 TDP1 (0.35) TDP1EYA2APPACEADRA1A
SCHEMBL16016668 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760761-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2023-09-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
EP-1677816-A4 THERAPEUTIC METHOD UNIV MONASH (AU) 2009-04-22 EP disclosed
EP-1677816-A1 THERAPEUTIC METHOD MONASH UNIVERSITY (AU) 2006-07-12 EP disclosed
WO-2005032578-A1 THERAPEUTIC METHOD MONASH UNIVERSITY (AU) 2005-04-14 WO 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 (3 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-11760761-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 FFAR3 4225/4885TDP1 2926/4885EYA2 2164/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 FFAR3 87/4885TDP1 4770/4885EYA2 1048/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 FFAR3 818/4885TDP1 4783/4885EYA2 2731/4885

“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.