SCHEMBL14680632

SCHEMBL14680632

CC(C)(C)OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)[C@@H](N)Cc1ccc(F)cc1)C(=O)OC(C)(C)C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ PLK1 P53350 1/20 0.38
▸ TDP1 Q9NUW8 4/20 0.38
▸ PAX8 Q06710 2/20 0.38
▸ FOLH1 Q04609 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MC4R P32245 1/20 0.35
▸ MC3R P41968 1/20 0.35

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
SCHEMBL29679077 0.94 FNTA (0.42) FNTAFNTBPGGT1BCA1CA2
SCHEMBL19079056 0.88 TDP1 (0.44) FNTAFNTBPGGT1BTDP1PAX8
SCHEMBL29679161 0.86 TDP1 (0.42) FNTAFNTBPGGT1BCA1CA2
SCHEMBL29679269 0.86 CA1 (0.42) CA1CA2TDP1PAX8FOLH1
SCHEMBL14680406 0.86 TDP1 (0.39) FNTAFNTBPGGT1BCA1CA2
SCHEMBL31514305 0.85 PLG (0.43) FNTAFNTBPGGT1BCA1CA2
SCHEMBL19065173 0.85 TDP1 (0.49) TDP1PAX8FOLH1MAPT
SCHEMBL19065174 0.85 TDP1 (0.49) TDP1PAX8FOLH1MAPT
SCHEMBL31514296 0.85 TDP1 (0.49) TDP1PAX8FOLH1MAPT
SCHEMBL29679276 0.85 FOLH1 (0.46) CA1CA2CTSSCTSKTDP1

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-9388144-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2016-07-12 — — US disclosed
US-20150078998-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-03-19 — — US disclosed
US-8926944-B2 Radiolabeled prostate specific membrane antigen inhibitors MOLECULAR INSIGHT PHARMACEUTICALS (US) 2015-01-06 — — US disclosed
US-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS 2013-02-07 — — 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-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA1 FNTA 202/4885FNTB 94/4885PGGT1B 306/4885
US-20150078998-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA2 FNTA 295/4885FNTB 63/4885PGGT1B 241/4885

“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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