SCHEMBL16301413

SCHEMBL16301413

CCCC(CCC)C(=O)Oc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.52
CTSL P07711 3/20 0.52
CTSS P25774 3/20 0.52
CTSB P07858 2/20 0.52
ALDH1A1 P00352 2/20 0.51
ALOX15 P16050 1/20 0.51
ITGB3 P05106 7/20 0.51
ITGA2B P08514 7/20 0.51
TACR1 P25103 2/20 0.50
TYR P14679 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL14434884 0.90 TACR1 (0.50) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL10241686 0.89 HDAC3 (0.46) CTSKCTSLCTSSCTSBITGB3
SCHEMBL14434898 0.84 ITGB3 (0.42) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL15080871 0.82 TACR1 (0.68) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL10241671 0.82 CTSK (0.58) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL20381057 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL22144261 0.81 CTSK (0.66) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL18924800 0.80 CTSK (0.58) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL3065366 0.80 CTSL (0.64) CTSKCTSLCTSSCTSBALDH1A1
SCHEMBL6898524 0.80 TACR1 (0.62) CTSKCTSLCTSSCTSBALDH1A1

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-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

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 903/4885CTSL 245/4885CTSS 536/4885

“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.