SCHEMBL4901736

SCHEMBL4901736

C#C[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.50
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 2/20 0.46
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CTRB1 P17538 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MDM2 Q00987 1/20 0.42

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
SCHEMBL17865679 1.00 CTSC (0.50) CTSCNPC1RAB9ACYP1A2SLC1A3
SCHEMBL1519814 1.00 CTSC (0.50) CTSCNPC1RAB9ACYP1A2SLC1A3
SCHEMBL4425402 0.82 CTSC (0.71) CTSCCYP1A2CYP3A4CYP2D6
SCHEMBL5906582 0.82 CTSC (0.71) CTSCCYP1A2CYP3A4CYP2D6
SCHEMBL17973557 0.81 CTRB1 (0.59) CTRB1
SCHEMBL2550290 0.81 FPR2 (0.44) CTSCL3MBTL1
SCHEMBL18262685 0.81 LDHA (0.55)
SCHEMBL18262683 0.81 LDHA (0.55)
SCHEMBL3177171 0.79 ACE (0.47) CTSCNPC1RAB9ACYP1A2SLC1A3
SCHEMBL17865714 0.79 CTSS (0.58)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 CTSC 2192/4885NPC1 2507/4885RAB9A 1685/4885

“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.