SCHEMBL26314066

SCHEMBL26314066

CCCN(CCC)C(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.64
EGFR P00533 2/20 0.60
ERBB2 P04626 2/20 0.60
TP53 P04637 1/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA9 Q16790 1/20 0.54
SLC22A6 Q4U2R8 1/20 0.54
SLC22A8 Q8TCC7 1/20 0.54
ABCC2 Q92887 1/20 0.54
SLC22A12 Q96S37 1/20 0.54
UGT1A7 Q9HAW7 1/20 0.54
SLC22A11 Q9NSA0 1/20 0.54
LPAR1 Q92633 3/20 0.53
LPAR5 Q9H1C0 3/20 0.53
HPGD P15428 4/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL9694832 0.92 MLYCD (0.72) MLYCDEGFRERBB2TP53SMN1; SMN2
SCHEMBL9645497 0.87 GAA (0.58) MLYCDEGFRERBB2TP53LPAR1
SCHEMBL1003735 0.86 TP53 (0.68) MLYCDEGFRERBB2TP53HPGD
SCHEMBL10762716 0.85 RARB (0.57) EGFRERBB2TP53HPGDALDH1A1
SCHEMBL10767369 0.85 RARB (0.57) EGFRERBB2TP53HPGDALDH1A1
SCHEMBL10761149 0.85 RARB (0.57) EGFRERBB2TP53HPGDALDH1A1
SCHEMBL4489409 0.84 MLYCD (0.64) MLYCDEGFRERBB2TP53HPGD
SCHEMBL26313600 0.84 MLYCD (0.64) MLYCDEGFRERBB2TP53RAB9A
SCHEMBL7967022 0.84 MLYCD (0.64) MLYCDEGFRERBB2TP53RAB9A
SCHEMBL6802252 0.83 HPGD (0.69) MLYCDTP53RAB9ASMN1; SMN2LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, LTD. (KY) 2023-08-17 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 (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-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE NLRP3, PYCARD, NLRP1 MLYCD 291/4885EGFR 4163/4885ERBB2 4612/4885

“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.