SCHEMBL2493028

SCHEMBL2493028

COC(=O)C[C@H](O)[C@H](NC(=O)OCc1ccccc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.54
REN P00797 4/20 0.53
ELANE P08246 2/20 0.50
PRTN3 P24158 1/20 0.50
ATM Q13315 1/20 0.50
CTSL P07711 3/20 0.49
CTSS P25774 3/20 0.49
CTSK P43235 4/20 0.48
CTSB P07858 2/20 0.48
CTRB1 P17538 2/20 0.47
TRPM8 Q7Z2W7 1/20 0.46
CASP1 P29466 1/20 0.46

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
SCHEMBL13303244 0.90 CTSL (0.48) ABCB1ELANEPRTN3ATMCTSL
SCHEMBL2391974 0.90 CTSL (0.48) ABCB1ELANEPRTN3ATMCTSL
SCHEMBL3274393 0.90 ATM (0.52) ELANEPRTN3ATMCTSLCTSS
SCHEMBL3339842 0.90 ATM (0.52) ELANEPRTN3ATMCTSLCTSS
SCHEMBL3338883 0.90 ATM (0.52) ELANEPRTN3ATMCTSLCTSS
SCHEMBL8397139 0.88 CYP2D6 (0.64) RENELANEPRTN3ATMCTSL
SCHEMBL19615631 0.87 ELANE (0.53) ELANEPRTN3ATMCTSLCTSS
SCHEMBL19615632 0.87 ELANE (0.53) ELANEPRTN3ATMCTSLCTSS
SCHEMBL19615929 0.87 ELANE (0.53) ELANEPRTN3ATMCTSLCTSS
SCHEMBL12906609 0.85 ATM (0.61) ELANEPRTN3ATMCTSLCTSS

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-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 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-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 ABCB1 2789/4885REN 659/4885ELANE 1539/4885

“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.