SCHEMBL19079056

SCHEMBL19079056

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MMP1 P03956 1/20 0.42
▸ MMP3 P08254 1/20 0.42
▸ MMP9 P14780 1/20 0.42
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ FNTA P49354 3/20 0.41
▸ FNTB P49356 3/20 0.41
▸ PGGT1B P53609 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL31514296 0.94 TDP1 (0.49) TDP1PAX8MEN1KMT2AALDH1A1
SCHEMBL19065174 0.94 TDP1 (0.49) TDP1PAX8MEN1KMT2AALDH1A1
SCHEMBL19065173 0.94 TDP1 (0.49) TDP1PAX8MEN1KMT2AALDH1A1
SCHEMBL19079057 0.91 TDP1 (0.44) TDP1PAX8MEN1KMT2AALDH1A1
SCHEMBL29679276 0.90 FOLH1 (0.46) TDP1PAX8MEN1KMT2AALDH1A1
SCHEMBL25963654 0.89 FOLH1 (0.46) FOLH1
SCHEMBL14680632 0.88 FNTA (0.41) TDP1PAX8FOLH1FNTAFNTB
SCHEMBL29679269 0.86 CA1 (0.42) TDP1PAX8MEN1KMT2AALDH1A1
SCHEMBL29679161 0.86 TDP1 (0.42) TDP1PAX8FNTAFNTBPGGT1B
SCHEMBL29598511 0.85 FOLH1 (0.48) TDP1PAX8MEN1KMT2AALDH1A1

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 2 patents. 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
US-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY FIVE ELEVEN PHARMA INC. 2017-07-06 — — 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 (2 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-20170189568-A1 UREA-BASED PROSTATE SPECIFIC MEMBRANE ANTIGEN (PSMA) INHIBITORS FOR IMAGING AND THERAPY KLK3, FOLH1, UTS2R TDP1 4743/4885PAX8 3373/4885MEN1 411/4885
US-20230201383-A1 PSMA TARGETING UREA-BASED LIGANDS FOR PROSTATE CANCER RADIOTHERAPY AND IMAGING KLK3, FOLH1, PSMA7 TDP1 3735/4885PAX8 400/4885MEN1 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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