SCHEMBL19742740

SCHEMBL19742740

CN(Cc1ccccc1)C(=O)C1(NC(=O)O)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.45
HPGD P15428 2/20 0.44
RIPK1 Q13546 1/20 0.44
ABCC1 P33527 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL19742568 0.83 CTSL (0.52) NPC1RAB9ACA12CA9KMT2A
SCHEMBL30958589 0.73 NPC1 (0.54) NPC1RAB9ACA12CA9KMT2A
SCHEMBL19742648 0.73 NPC1 (0.46) NPC1RAB9ACA12CA9KMT2A
SCHEMBL1838184 0.72 LPAR1 (0.51) NPC1RAB9ACA12CA9KMT2A
SCHEMBL180384 0.72 NPC1 (0.73) NPC1RAB9ACA12CA9KMT2A
Formic Acid SCHEMBL28872380 0.72 NPC1 (0.49) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3556100 0.72 NPC1 (0.49) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3560762 0.71 RAB9A (0.47) NPC1RAB9ACA12CA9KMT2A
Hydrochloric Acid SCHEMBL11786759 0.70 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A
SCHEMBL3095761 0.70 NPC1 (0.70) NPC1RAB9ACA12CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3474855-B1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS INC (US) 2022-01-26 EP disclosed
EP-3474855-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF Polaris Pharmaceuticals, Inc. (US) 2019-05-01 EP disclosed
US-10227344-B2 CK2 inhibitors, compositions and methods thereof POLARIS PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
WO-2017223432-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS (US) 2017-12-28 WO disclosed
US-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS 2017-12-28 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-20170369489-A1 CK2 INHIBITORS, COMPOSITIONS AND METHODS THEREOF CSNK1A1, CSNK2A1, CSNK2A3 NPC1 4261/4885RAB9A 3927/4885CA12 678/4885
US-10227344-B2 CK2 inhibitors, compositions and methods thereof CSNK1A1, CSNK2A1, CSNK2A3 NPC1 4261/4885RAB9A 3927/4885CA12 678/4885

“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.