SCHEMBL22652158

SCHEMBL22652158

NC(=O)CCC(NC(=O)CCCCC1CCSS1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.64
▸ TARDBP Q13148 2/20 0.64
▸ HSD17B10 Q99714 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ NR1I2 O75469 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ THRB P10828 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ACHE P22303 1/20 0.53
▸ APEX1 P27695 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ PMP22 Q01453 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ SAE1 Q9UBE0 1/20 0.53
▸ UBA2 Q9UBT2 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL8506279 0.90 HSD17B10 (0.63) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL17265768 0.90 HSD17B10 (0.63) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL17265749 0.90 HSD17B10 (0.63) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL8521626 0.90 HSD17B10 (0.63) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL17265757 0.88 KMT2A (0.57) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL10052742 0.88 KMT2A (0.57) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL26803348 0.87 KMT2A (0.60) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL6904733 0.87 HSD17B10 (0.52) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL17268340 0.87 HSD17B10 (0.55) KMT2ATARDBPHSD17B10CYP2C9MEN1
SCHEMBL17265765 0.87 HSD17B10 (0.66) KMT2ATARDBPHSD17B10CYP2C9MEN1

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 3 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

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-11213509-B2 Compositions and methods for treating traumatic brain injury BDNF, NLN, FABP7 KMT2A 1906/4885TARDBP 66/4885HSD17B10 2210/4885
US-20200352904-A1 Compositions And Methods For Treating Traumatic Brain Injury BDNF, NLN, FABP7 KMT2A 1906/4885TARDBP 66/4885HSD17B10 2210/4885

“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.

Send feedback