SCHEMBL3307333

SCHEMBL3307333

C=CCOC(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
CASP1 P29466 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PLA2G2A P14555 1/20 0.37
PLA2G5 P39877 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MBTPS1 Q14703 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL6450606 1.00 TYR (0.43) TYRCASP1SMN1; SMN2TDP1ALDH1A1
SCHEMBL19614847 1.00 TYR (0.43) TYRCASP1SMN1; SMN2TDP1ALDH1A1
SCHEMBL28836516 0.88 CASP1 (0.39) CASP1TDP1ALDH1A1
SCHEMBL6808279 0.88 CASP1 (0.39) CASP1TDP1ALDH1A1
SCHEMBL28836514 0.88 CASP1 (0.39) CASP1TDP1ALDH1A1
SCHEMBL14862094 0.87 BACE1 (0.40) TYRCASP1TDP1ALDH1A1BACE1
SCHEMBL12285510 0.87 BACE1 (0.40) TYRCASP1TDP1ALDH1A1BACE1
SCHEMBL12245283 0.87 BACE1 (0.40) TYRCASP1TDP1ALDH1A1BACE1
SCHEMBL3302721 0.87 TYR (0.41) TYRSMN1; SMN2ALDH1A1PLA2G2APLA2G5
SCHEMBL10537510 0.86 TSHR (0.42) CASP1SMN1; SMN2TDP1ALDH1A1

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 236 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2456781-B1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER IP GMBH (DE) 2017-06-21 EP claimed
US-9096639-B2 17-hydroxy-17-pentafluorethyl-estra-4,9(10)-dien-11-acyloxyalkylene phenyl derivatives, methods for the production thereof and use thereof for treating diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-04 US claimed
US-20120232042-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-13 US claimed
EP-0877746-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1998-11-18 EP claimed
WO-1997027195-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO claimed
US-20260061065-A1 ANTIBODY DRUG CONJUGATES NOVARTIS AG (CH) 2026-03-05 US disclosed
US-20250387504-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2025-12-25 US disclosed
EP-4633738-A1 CYTOTOXIC COMPOUNDS Pheon Therapeutics Ltd (GB) 2025-10-22 EP disclosed
WO-2025111431-A1 ANTI-CD7 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF LES LABORATOIRES SERVIER (FR) 2025-05-30 WO disclosed
WO-2025111450-A1 ANTI-CD74 ANTIBODY-DRUG CONJUGATES AND METHODS OF USE THEREOF LES LABORATOIRES SERVIER (FR) 2025-05-30 WO disclosed
EP-4525928-A1 ANTIBODY DRUG CONJUGATES Novartis AG (CH) 2025-03-26 EP disclosed
EP-4525927-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF Novartis AG (CH) 2025-03-26 EP disclosed
WO-1997027195-A9 PROCESS FOR PREPARING PURINE DERIVATIVES 1997-10-30 WO disclosed
WO-1997027198-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO disclosed
WO-1997027196-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO disclosed
WO-1997027197-A1 PROCESS FOR PREPARING GANCICLOVIR DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO disclosed
WO-1997027194-A1 PROCESS FOR PREPARING PURINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-07-31 WO disclosed
EP-0604368-B1 Anti retroviral hydrazine derivatives CIBA GEIGY AG (CH) 1996-09-18 EP disclosed
EP-0694547-A2 2-(2-amino-1,6-dihydro-6-oxo-purin-9-yl)methoxy-1,3-propanediol derivative F. Hoffmann-La Roche AG (CH) 1996-01-31 EP disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 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 (3 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-20250387504-A1 ANTIBODY-DRUG CONJUGATES OF ANTINEOPLASTIC COMPOUNDS AND METHODS OF USE THEREOF BID, BCL2, MCL1 TYR 4753/4885CASP1 193/4885SMN1; SMN2 644/4885
US-20260061065-A1 ANTIBODY DRUG CONJUGATES FCGR2A, FCGR3B, BCL3 TYR 4859/4885CASP1 755/4885SMN1; SMN2 1063/4885
US-20120232042-A1 17-HYDROXY-17-PENTAFLUORETHYL-ESTRA-4,9(10)-DIEN-11-ACYLOXYALKYLENE PHENYL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE THEREOF FOR TREATING DISEASES CYP19A1, HSD17B11, SHBG TYR 4278/4885CASP1 2172/4885SMN1; SMN2 2299/4885

“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.