SCHEMBL16447670

SCHEMBL16447670

CCC(NC(=O)OCc1ccccc1)NC(NC(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.49
CTSL P07711 4/20 0.49
CTSS P25774 4/20 0.49
CTSB P07858 3/20 0.49
ELANE P08246 2/20 0.49
CTRB1 P17538 2/20 0.49
ATM Q13315 1/20 0.49
PRTN3 P24158 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
SYK P43405 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 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
SCHEMBL2402783 0.87 CTRB1 (0.58) CTSKCTSLCTSSCTSBELANE
SCHEMBL12798890 0.77 ATM (0.57) CTSKCTSLCTSSCTSBELANE
SCHEMBL13489691 0.77 ATM (0.57) CTSKCTSLCTSSCTSBELANE
SCHEMBL6407665 0.77 ATM (0.59) CTSKCTSLCTSSCTSBELANE
SCHEMBL13572927 0.77 ATM (0.59) CTSKCTSLCTSSCTSBELANE
SCHEMBL14999596 0.77 ATM (0.59) CTSKCTSLCTSSCTSBELANE
SCHEMBL3911384 0.75 SYK (0.70) CTSKCTSLCTSSCTSBCTRB1
SCHEMBL14704026 0.75 ATM (0.61) CTSKCTSLCTSSCTSBELANE
SCHEMBL12906609 0.75 ATM (0.61) CTSKCTSLCTSSCTSBELANE
SCHEMBL12220545 0.75 SYK (0.69) CTSKCTSLCTSSCTSBELANE

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-9145415-B2 Nitrogen-containing heterocyclic compound or salt thereof FUJIFILM CORPORATION (JP) 2015-09-29 US disclosed
US-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FUJIFILM CORPORATION (JP) 2015-02-12 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-20150045339-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND OR SALT THEREOF FLT3, NPM1, ABL1 CTSK 2756/4885CTSL 2648/4885CTSS 3922/4885

“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.