SCHEMBL3500092

SCHEMBL3500092

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](C/C=C/c1ccccc1)C(=O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 1.00
MMP2 P08253 16/20 0.42
MMP3 P08254 12/20 0.42
MMP7 P09237 11/20 0.42
MMP1 P03956 11/20 0.41
MMP9 P14780 4/20 0.41
MMP8 P22894 3/20 0.41
MMP13 P45452 2/20 0.41
MMP12 P39900 1/20 0.41
MMP14 P50281 1/20 0.41
FCER2 P06734 2/20 0.37

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
SCHEMBL13274076 1.00 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6813847 1.00 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL4481744 1.00 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6813844 1.00 ADAM17 (1.00) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942162 0.92 ADAM17 (0.85) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6946003 0.92 ADAM17 (0.85) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6946135 0.92 ADAM17 (0.85) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6946832 0.92 ADAM17 (0.85) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6942514 0.92 ADAM17 (0.85) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6941769 0.92 ADAM17 (0.85) ADAM17MMP2MMP3MMP7MMP1

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-20240156867-A1 ENGINEERED IMMUNE CELL THERAPEUTICS AND METHODS OF USE Catamaran Bio, Inc. 2024-05-16 US claimed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 US claimed
US-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE 2012-05-31 US disclosed
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-07-01 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-20120135959-A1 Metalloprotein inhibitors containing nitrogen based ligands MMP8, MMP1, TIMP3 ADAM17 26/4885MMP2 5/4885MMP3 11/4885
US-20100168089-A1 UTILIZATION OF TACE INHIBITORS FOR THE TREATMENT OF ACNE MMP17, MMP25, TIMP3 ADAM17 11/4885MMP2 7/4885MMP3 8/4885

“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.