SCHEMBL22026754

SCHEMBL22026754

CC(C)(C)OC(=O)C(CCCSc1nc2ccccc2s1)NC(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ HTT P42858 5/20 0.50
▸ LMNA P02545 5/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ RECQL P46063 1/20 0.50
▸ HDAC3 O15379 2/20 0.49
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ HDAC7 Q8WUI4 2/20 0.49
▸ HDAC2 Q92769 2/20 0.49
▸ HDAC10 Q969S8 2/20 0.49
▸ HDAC11 Q96DB2 2/20 0.49
▸ HDAC8 Q9BY41 2/20 0.49
▸ HDAC6 Q9UBN7 2/20 0.49
▸ HDAC9 Q9UKV0 2/20 0.49
▸ HDAC5 Q9UQL6 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ ALOX5 P09917 3/20 0.47

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
SCHEMBL22026755 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL29793180 1.00 SMN1; SMN2 (0.50) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL24214328 0.86 HTT (0.53) SMN1; SMN2HTTLMNANPC1RAB9A
SCHEMBL22026759 0.82 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29793569 0.82 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22026761 0.82 HDAC3 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17672343 0.80 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646276 0.80 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646294 0.78 MAPT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17646310 0.78 MAPT (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives XWPharma Ltd. (KY) 2023-07-04 — — US disclosed
CN-115109116-A Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-09-27 — — CN disclosed
CN-111278807-B Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2022-07-22 — — CN disclosed
EP-3668837-B1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPHARMA LTD (KY) 2022-07-06 — — EP disclosed
US-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPharma Ltd. (KY) 2021-02-18 — — US disclosed
US-10858394-B2 Preparation and uses of reactive oxygen species scavenger derivatives XW LABORATORIES INC. (KY) 2020-12-08 — — US disclosed
CN-111278807-A Preparation and use of active oxygen scavenger derivatives 凯瑞康宁生物工程(武汉)有限公司 2020-06-12 — — CN disclosed
US-20200181194-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES XWPharma Ltd. (KY) 2020-06-11 — — 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 (4 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-20200181194-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES AIFM2, GPX1, GPX4 SMN1; SMN2 2497/4885HTT 1855/4885LMNA 1582/4885
US-20210047367-A1 PREPARATION AND USES OF REACTIVE OXYGEN SPECIES SCAVENGER DERIVATIVES AIFM2, GPX1, GPX4 SMN1; SMN2 2497/4885HTT 1855/4885LMNA 1582/4885
US-11692008-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 SMN1; SMN2 2497/4885HTT 1855/4885LMNA 1582/4885
US-10858394-B2 Preparation and uses of reactive oxygen species scavenger derivatives AIFM2, GPX1, GPX4 SMN1; SMN2 2497/4885HTT 1855/4885LMNA 1582/4885

“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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