SCHEMBL25964575

SCHEMBL25964575

CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2cccc(I)c2)C(=O)O)CC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.68
▸ ATM Q13315 2/20 0.68
▸ MEN1 O00255 1/20 0.66
▸ MAPK1 P28482 1/20 0.51
▸ LMNA P02545 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ACE P12821 1/20 0.45
▸ ACACB O00763 4/20 0.44
▸ ACACA Q13085 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL30309096 1.00 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL28057007 0.90 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
SCHEMBL388983 0.90 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
SCHEMBL388984 0.90 KMT2A (0.82) KMT2AATMMEN1MAPK1LMNA
SCHEMBL18011186 0.89 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16606805 0.89 KMT2A (0.68) KMT2AATMMEN1MAPK1LMNA
SCHEMBL16609114 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
SCHEMBL17982949 0.89 KMT2A (0.69) KMT2AATMMEN1MAPK1LMNA
Dimethylamine SCHEMBL10425391 0.88 KMT2A (0.79) KMT2AATMMEN1MAPK1LMNA
SCHEMBL390283 0.87 KMT2A (0.65) KMT2AATMMEN1MAPK1LMNA

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-20230201383-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING RIGSHOSPITALET (DK) 2023-06-29 — — 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-20230201383-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING KLK3, FOLH1, PSMA7 KMT2A 2730/4885ATM 114/4885MEN1 865/4885

“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.

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