SCHEMBL20208717

SCHEMBL20208717

CCOC(=O)C(Cc1ccc(F)cc1)NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 7/20 0.53
▸ CTSK P43235 6/20 0.53
▸ LMNA P02545 1/20 0.46
▸ SCN9A Q15858 2/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSB P07858 1/20 0.42
▸ KCNQ4 P56696 2/20 0.42
▸ KCNQ5 Q9NR82 2/20 0.42
▸ PTPN1 P18031 3/20 0.41
▸ PTPRA P18433 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 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
SCHEMBL18239928 1.00 CTSS (0.53) CTSSCTSKLMNASCN9ACTSL
SCHEMBL20202782 0.92 CTSS (0.54) CTSSCTSKSCN9ACTSLCTSB
SCHEMBL29635621 0.90 CTSS (0.51) CTSSCTSKLMNASCN9ACTSL
SCHEMBL29635622 0.90 CTSS (0.51) CTSSCTSKLMNASCN9ACTSL
SCHEMBL29635623 0.90 CTSS (0.51) CTSSCTSKLMNASCN9ACTSL
SCHEMBL28576290 0.90 LMNA (0.59) CTSSCTSKLMNASCN9ACTSL
SCHEMBL24101175 0.89 CTSS (0.52) CTSSCTSKLMNASCN9ACTSL
SCHEMBL30138539 0.87 HDAC3 (0.46) CTSSCTSKLMNASCN9AKCNQ4
SCHEMBL30138520 0.87 HDAC3 (0.46) CTSSCTSKLMNASCN9AKCNQ4
SCHEMBL31255296 0.86 CTSS (0.52) CTSSCTSKSCN9ACTSLCTSB

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-10287316-B2 Process for preparation of nitrogen mustard derivatives ONCOPEPTIDES AB (SE) 2019-05-14 — — US disclosed
US-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES ONCOPEPTIDES AB (SE) 2018-05-31 — — 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-20180148473-A1 PROCESS FOR PREPARATION OF NITROGEN MUSTARD DERIVATIVES CBR3, GRHPR, CTH CTSS 905/4885CTSK 1803/4885LMNA 2888/4885
US-10287316-B2 Process for preparation of nitrogen mustard derivatives CBR3, GRHPR, CTH CTSS 905/4885CTSK 1803/4885LMNA 2888/4885

“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.

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