SCHEMBL757260

SCHEMBL757260

C[C@H](CCC(=O)O)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.62
KEAP1 Q14145 1/20 0.55
CYSLTR2 Q9NS75 2/20 0.53
CYSLTR1 Q9Y271 2/20 0.53
NAALAD2 Q9Y3Q0 2/20 0.53
FFAR1 O14842 1/20 0.52
SLC15A1 P46059 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
LTA4H P09960 1/20 0.49
CYP1A2 P05177 1/20 0.48
CPA1 P15085 2/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL3440803 1.00 CPA3 (0.62) CPA3KEAP1CYSLTR2CYSLTR1NAALAD2
SCHEMBL18576990 0.90 FFAR1 (0.61) CPA3CYSLTR2CYSLTR1FFAR1
SCHEMBL28588548 0.89 CPA3 (0.54) CPA3KEAP1CYSLTR2CYSLTR1NAALAD2
SCHEMBL13235780 0.87 ALDH1A1 (0.55) CPA3SLC15A1NPC1RAB9ACYP1A2
SCHEMBL20208030 0.87 ALDH1A1 (0.55) CPA3SLC15A1NPC1RAB9ACYP1A2
SCHEMBL29016766 0.86 HDAC1 (0.58) LTA4HHDAC3HDAC4HDAC1HDAC7
SCHEMBL29339199 0.86 MAPT (0.56) CPA3KEAP1NAALAD2FFAR1SLC15A1
SCHEMBL7400003 0.85 CYSLTR2 (0.52) CPA3CYSLTR2CYSLTR1NAALAD2FFAR1
SCHEMBL25633090 0.85 FFAR1 (0.51) CPA3CYSLTR2CYSLTR1FFAR1MAPK1
SCHEMBL28228765 0.85 EPHX1 (0.47) CPA3SLC15A1NPC1RAB9ACYP1A2

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-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2023-06-27 US disclosed
US-20230173093-A1 CHARGE VARIANT LINKERS SEAGEN INC (US) 2023-06-08 US disclosed
US-8138145-B2 Hybrid oligomers, their preparation process and pharmaceutical compositions containing them Centre National de la Recherche Scientifique (SNRS) (FR) 2012-03-20 US disclosed
US-20100298206-A1 HYBRID OLIGOMERS, THEIR PREPARATION PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS), I.B.M.C. (FR) 2010-11-25 US disclosed
US-7691807-B2 Hybrid oligomers, their preparation process and pharmaceutical compositions containing them CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-04-06 US 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-20100298206-A1 HYBRID OLIGOMERS, THEIR PREPARATION PROCESS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM NOD2, NOD1, COG5 CPA3 3506/4885KEAP1 353/4885CYSLTR2 2698/4885
US-11685734-B2 ATM kinase inhibitors and compositions and methods of use thereof ATM, CHEK2, CHEK1 CPA3 4597/4885KEAP1 718/4885CYSLTR2 4354/4885
US-20230173093-A1 CHARGE VARIANT LINKERS SSB, UACA, CDA CPA3 725/4885KEAP1 3559/4885CYSLTR2 852/4885

“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.