SCHEMBL23313200

SCHEMBL23313200

CCC(C)(C)C(=O)c1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.51
▸ HSD17B10 Q99714 8/20 0.51
▸ CFTR P13569 1/20 0.47
▸ MAPT P10636 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ KDM4E B2RXH2 9/20 0.44
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 6/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ RIPK1 Q13546 3/20 0.41
▸ TSHR P16473 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL20349882 0.81 RIPK1 (0.43) ALDH1A1KDM4ESMN1; SMN2RIPK1TSHR
SCHEMBL7591469 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL13456694 0.79 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL23313034 0.79 KDM4E (0.47) ALDH1A1HSD17B10MAPTGAAKDM4E
SCHEMBL10523005 0.79 ALDH1A1 (0.38) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL6153221 0.78 RIPK1 (0.51) ALDH1A1MAPTGAAKDM4EHPGD
SCHEMBL27475694 0.76 ALDH1A1 (0.46) ALDH1A1HSD17B10CFTRMAPTGAA
SCHEMBL23425665 0.75 LMNA (0.44) ALDH1A1HSD17B10MAPTKDM4EPOLB
SCHEMBL10293347 0.75 CTSD (0.53) ALDH1A1MAPTHPGDSMN1; SMN2NPC1
SCHEMBL18387704 0.75 POLB (0.51) GAAKDM4EPOLBRIPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995061-B2 SPAK kinase inhibitors as neuroprotective agents UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) 2021-05-04 — — 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 (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-10995061-B2 SPAK kinase inhibitors as neuroprotective agents SBK1, DAPK2, SPAST ALDH1A1 3598/4885HSD17B10 3693/4885CFTR 4591/4885

“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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