SCHEMBL13222357

SCHEMBL13222357

CC(C)(C)c1ccc(-c2ncco2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.50
▸ KIF11 P52732 3/20 0.48
▸ NPC1 O15118 5/20 0.47
▸ RAB9A P51151 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TP53 P04637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ NOTUM Q6P988 1/20 0.45
▸ HPGDS O60760 1/20 0.43
▸ CHRNA7 P36544 1/20 0.43
▸ CHRNA10 Q9GZZ6 1/20 0.43
▸ CHRNA9 Q9UGM1 1/20 0.43
▸ IKBKB O14920 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL722557 0.83 LTA4H (0.64) LTA4HNOTUMHPGDSCHRNA7CHRNA10
SCHEMBL3872412 0.82 TRPV1 (0.60) KDM4EHPGDKMT2A
SCHEMBL28257875 0.81 LTA4H (0.62) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL28362996 0.81 LTA4H (0.62) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL28320605 0.81 LTA4H (0.62) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL15675358 0.81 KIF11 (0.50) LTA4HKIF11NPC1KDM4ELMNA
SCHEMBL12388585 0.79 KIF11 (0.53) LTA4HKIF11NPC1RAB9ALMNA
SCHEMBL3031252 0.78 LTA4H (0.55) LTA4HNPC1RAB9AKDM4ETP53
SCHEMBL16455995 0.78 TNKS (0.52) LTA4HKIF11NPC1RAB9ATP53
SCHEMBL16382998 0.77 LTA4H (0.46) LTA4HHPGDSCHRNA7CHRNA10CHRNA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X FORMA THERAPEUTICS, INC. 2022-02-10 — — US disclosed
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 — — US disclosed
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase BRISTOL-MYERS SQUIBB COMPANY (US) 2019-01-08 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-10000482-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2018-06-19 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 — — US disclosed
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2016-11-10 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-20150259340-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-17 — — US disclosed
US-7772183-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 — — US disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 — — 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 (8 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-20150259340-A1 NOVEL KINASE INHIBITORS LRRK2, MYLK2, MYLK LTA4H 1358/4885KIF11 1587/4885NPC1 4398/4885
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK LTA4H 1305/4885KIF11 1421/4885NPC1 4727/4885
US-10173991-B2 Sulfone amide linked benzothiazole inhibitors of endothelial lipase LIPG, LIPE, LPL LTA4H 64/4885KIF11 3629/4885NPC1 1808/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 LTA4H 1309/4885KIF11 3964/4885NPC1 66/4885
US-20220041597-A1 INHIBITING UBIQUITIN SPECIFIC PEPTIDASE 9X MCL1, HSPA9, USP10 LTA4H 3836/4885KIF11 421/4885NPC1 4553/4885
US-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL LTA4H 2854/4885KIF11 3793/4885NPC1 167/4885
US-10000482-B2 Kinase inhibitors LRRK2, MYLK2, MYLK LTA4H 1373/4885KIF11 1709/4885NPC1 4434/4885
US-20160326125-A1 SULFONE AMIDE LINKED BENZOTHIAZOLE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, LIPE, LPL LTA4H 64/4885KIF11 3629/4885NPC1 1808/4885

“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.

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