SCHEMBL29395344

SCHEMBL29395344

Cc1cccc(-n2nc(C(F)F)c3ccc(NC(=O)[C@H](CO)NC(=O)OC(C)(C)C)cc32)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.40
▸ HDAC4 P56524 4/20 0.39
▸ HDAC1 Q13547 4/20 0.39
▸ EGFR P00533 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL24543145 1.00 SCN9A (0.40) SCN9AHDAC4HDAC1EGFRHDAC8
SCHEMBL22559639 0.89 KHK (0.39) HDAC1HDAC6MAPTSMN1; SMN2MAPK14
SCHEMBL22567168 0.88 KHK (0.45) SCN9AHDAC4HDAC1EGFRHDAC8
SCHEMBL29397063 0.88 KHK (0.45) SCN9AHDAC4HDAC1EGFRHDAC8
SCHEMBL22567226 0.82 SMN1; SMN2 (0.40) MAPTSMN1; SMN2NPC1LMNAALOX15
SCHEMBL22567202 0.81 SCN9A (0.42) SCN9AHDAC4HDAC1EGFRHDAC8
SCHEMBL29397333 0.81 SCN9A (0.42) SCN9AHDAC4HDAC1EGFRHDAC8
Hydrochloric Acid SCHEMBL29677239 0.81 SMN1; SMN2 (0.39) MAPTSMN1; SMN2NPC1LMNAALOX15
SCHEMBL28685024 0.80 KHK (0.38) MAPTSMN1; SMN2NPC1LMNAALOX15
SCHEMBL28685022 0.80 KHK (0.38) MAPTSMN1; SMN2NPC1LMNAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-06-23 — — US disclosed
EP-3955914-A1 NOVEL COMPOUNDS AND METHODS OF USE TREATING FRUCTOSE-RELATED DISORDERS OR DISEASES Colorado Research Partners, LLC (US) 2022-02-23 — — EP 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-20220194939-A1 Novel compounds and methods of use treating fructose-related disorders or diseases GCK, KHK, HK1 SCN9A 4032/4885HDAC4 548/4885HDAC1 918/4885

“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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