SCHEMBL19919802

SCHEMBL19919802

CC(C)(C)C(=O)CC(=O)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 2/20 0.70
NPC1 O15118 4/20 0.52
RAB9A P51151 3/20 0.52
PTPN1 P18031 2/20 0.52
HTR7 P34969 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALOX12 P18054 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.47
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
PLOD3 O60568 1/20 0.44
PLOD1 Q02809 1/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL9483687 0.90 PLOD2 (0.53) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL2358895 0.89 PLOD2 (0.76) PLOD2NPC1RAB9APTPN1HTR7
SCHEMBL711849 0.82 PLOD2 (1.00) PLOD2NPC1RAB9APTPN1HTR7
SCHEMBL19919892 0.82 NPC1 (0.65) PLOD2NPC1RAB9AMAPTMEN1
SCHEMBL19919893 0.81 PTPN1 (0.67) PLOD2NPC1RAB9APTPN1MAPT
SCHEMBL2491432 0.81 PLOD2 (0.69) PLOD2NPC1RAB9APTPN1HTR7
SCHEMBL976028 0.81 RAB9A (0.68) NPC1RAB9APTPN1MAPTHTT
SCHEMBL28425950 0.81 HAO1 (0.56) PLOD2NPC1RAB9AMAPTMEN1
SCHEMBL8577565 0.81 ERCC5 (0.61) PLOD2NPC1RAB9AMAPTMEN1
SCHEMBL1434267 0.80 KMT2A (0.64) PLOD2NPC1RAB9APTPN1MAPT

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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 PLOD2 4263/4885NPC1 482/4885RAB9A 965/4885

“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.