SCHEMBL17265752

SCHEMBL17265752

C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCCC[C@@H]1CCSS1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ TARDBP Q13148 2/20 0.61
▸ ACHE P22303 2/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ NR1I2 O75469 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ THRB P10828 1/20 0.61
▸ TSHR P16473 1/20 0.61
▸ APEX1 P27695 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ UBA2 Q9UBT2 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.61

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
SCHEMBL8516693 1.00 HSD17B10 (0.61) HSD17B10KMT2ATARDBPACHECYP2C9
SCHEMBL26804183 1.00 HSD17B10 (0.61) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL13064768 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL9282164 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL9280271 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL15865534 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL15865533 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL9273271 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL18078286 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9
Cmx-2043 SCHEMBL9280720 0.95 ACHE (0.57) HSD17B10KMT2ATARDBPACHECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4282411-A1 LIPOYL-GLU-ALA FOR THE TREATMENT OF NEURODEGENERATIVE DAMAGE CAUSED BY TRAUMATIC BRAIN INJURY Ischemix LLC (US) 2023-11-29 — — EP disclosed
US-11213509-B2 Compositions and methods for treating traumatic brain injury Ischemix, LLC (US) 2022-01-04 — — US disclosed
US-20200352904-A1 Compositions And Methods For Treating Traumatic Brain Injury ISCHEMIX LLC 2020-11-12 — — US disclosed
US-10744115-B2 Compositions and methods for treating traumatic brain injury ISCHEMIX LLC (US) 2020-08-18 — — US disclosed
US-20150329519-A1 Formulations Comprising Lipoyl Compounds Ischemix, LLC 2015-11-19 — — US disclosed
WO-2015174948-A1 FORMULATIONS COMPRISING LIPOYL COMPOUNDS Ischemix, LLC (US) 2015-11-19 — — WO 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-11213509-B2 Compositions and methods for treating traumatic brain injury BDNF, NLN, FABP7 HSD17B10 2210/4885KMT2A 1906/4885TARDBP 66/4885
US-20200352904-A1 Compositions And Methods For Treating Traumatic Brain Injury BDNF, NLN, FABP7 HSD17B10 2210/4885KMT2A 1906/4885TARDBP 66/4885
US-10744115-B2 Compositions and methods for treating traumatic brain injury BDNF, NLN, FABP7 HSD17B10 2210/4885KMT2A 1906/4885TARDBP 66/4885
US-20150329519-A1 Formulations Comprising Lipoyl Compounds LIPC, LIPA, DLST HSD17B10 1428/4885KMT2A 1808/4885TARDBP 4228/4885

“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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