SCHEMBL13855558

SCHEMBL13855558

CCCCCCCCCCCCCCCCNC(=O)C(CSSCCCCCCCCCCCCCCCC)NC(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.49
CTSS P25774 5/20 0.49
CAPN1 P07384 1/20 0.48
PTPN1 P18031 3/20 0.43
PTPRA P18433 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA2 P00918 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
SIRT6 Q8N6T7 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
LPAR3 Q9UBY5 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL23007632 0.95 CTSK (0.53) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL23007764 0.93 CTSK (0.47) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL13855555 0.90 CTSK (0.46) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL23007877 0.88 CTSK (0.49) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL11113157 0.85 CTSK (0.51) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL13855559 0.85 CTSK (0.47) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL8508413 0.84 CTSK (0.50) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL28420491 0.84 CTSK (0.65) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL8217560 0.84 CTSK (0.50) CTSKCTSSCAPN1PTPN1PTPRA
SCHEMBL506750 0.82 CTSK (0.55) CTSKCTSSCAPN1PTPN1PTPRA

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-8647613-B2 Drug carrier JCR PHARMACEUTICALS CO., LTD. (JP) 2014-02-11 US disclosed
US-8647613-B2 Drug carrier JCR PHARMACEUTICALS CO., LTD. (JP) 2014-02-11 US disclosed
US-20090136443-A1 Drug Carrier OXGENIX CO., LTD. (JP) 2009-05-28 US disclosed
US-20090136443-A1 Drug Carrier OXGENIX CO., LTD. (JP) 2009-05-28 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-20090136443-A1 Drug Carrier ABCB11, SLC47A1, SLC47A2 CTSK 4083/4885CTSS 3591/4885CAPN1 4212/4885

“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.