SCHEMBL29809574

SCHEMBL29809574

COC(=O)[C@H](CS)NC(=O)c1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.56
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
ALDH1A1 P00352 4/20 0.51
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 2/20 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
SCHEMBL10331461 1.00 ECE1 (0.56) ECE1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL29809632 0.90 ECE1 (0.54) ECE1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL29809741 0.88 ECE1 (0.53) ECE1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL29809818 0.87 ECE1 (0.52) ECE1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL2227252 0.85 TAS1R3 (0.61) KMT2AMEN1ALDH1A1LMNA
SCHEMBL9838949 0.85 ECE1 (0.64) ECE1KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL9838941 0.85 ECE1 (0.64) ECE1KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL19588666 0.84 MEN1 (0.52) ECE1KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL6860349 0.83 ECE1 (0.62) ECE1KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL22460628 0.83 TAS1R3 (0.55) KMT2AMEN1ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220409526-A1 COMPOUNDS AND IMPLANTS FOR TREATING OCULAR DISORDERS RETINA FOUND OF THE SOUTHWEST (US) 2022-12-29 US claimed
EP-4054553-A1 COMPOUNDS AND IMPLANTS FOR TREATING OCULAR DISORDERS Retina Foundation of the Southwest (US) 2022-09-14 EP claimed
US-20220409526-A1 COMPOUNDS AND IMPLANTS FOR TREATING OCULAR DISORDERS RETINA FOUND OF THE SOUTHWEST (US) 2022-12-29 US disclosed
EP-4054553-A1 COMPOUNDS AND IMPLANTS FOR TREATING OCULAR DISORDERS Retina Foundation of the Southwest (US) 2022-09-14 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 (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-20220409526-A1 COMPOUNDS AND IMPLANTS FOR TREATING OCULAR DISORDERS PDE6C, STRA6, PDE6A ECE1 1629/4885KMT2A 3986/4885MEN1 2475/4885

“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.