SCHEMBL10241671

SCHEMBL10241671

CCCC(CCC)C(=O)OC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.58
CTSS P25774 7/20 0.54
CTSL P07711 6/20 0.54
CTSB P07858 4/20 0.50
IDO1 P14902 1/20 0.49
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47

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
SCHEMBL14434495 0.89 CTSK (0.53) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL10241673 0.88 CA1 (0.51) CTSKCTSSCTSLALDH1A1CA1
SCHEMBL20381057 0.87 CTSK (0.66) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL22144261 0.87 CTSK (0.66) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL11636918 0.84 CA1 (0.63) CTSKCTSSCTSLALDH1A1CA1
SCHEMBL16301413 0.82 CTSK (0.52) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL265783 0.81 CTSK (0.66) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL265461 0.81 CTSK (0.66) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL329038 0.81 CTSK (0.66) CTSKCTSSCTSLCTSBALDH1A1
SCHEMBL26195471 0.81 CTSK (0.64) CTSKCTSSCTSLCTSBALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO 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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 CTSK 903/4885CTSS 536/4885CTSL 245/4885

“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.