SCHEMBL18364852

SCHEMBL18364852

CNC(=O)N[C@@H](COC(=O)/C=C/C(=O)OC[C@@H](Cc1ccccc1)NC(=O)NC)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.49
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PIN1 Q13526 1/20 0.44
HCAR2 Q8TDS4 2/20 0.43
CTRB1 P17538 2/20 0.43
ATM Q13315 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.40
MDM4 O15151 1/20 0.40
LMNA P02545 1/20 0.40
MDM2 Q00987 1/20 0.40
POLB P06746 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
SCHEMBL18364861 1.00 CTSL (0.49) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364435 0.96 CTSL (0.46) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364315 0.96 CTSL (0.46) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364849 0.88 NPC1 (0.50) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364860 0.88 NPC1 (0.50) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364857 0.87 CTSL (0.47) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364863 0.87 CTSL (0.47) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364847 0.86 CTSL (0.46) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364866 0.86 CTSL (0.46) CTSLNPC1RAB9APIN1HCAR2
SCHEMBL18364862 0.85 ROCK2 (0.50) CTSLPIN1

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-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 US disclosed
US-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE Nguyen, Mark Quang (US) 2017-01-12 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-20170008834-A1 FUMARATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USE FH, FPGS, APC CTSL 2900/4885NPC1 2073/4885RAB9A 2464/4885

“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.