SCHEMBL17817112

SCHEMBL17817112

CCCCCCCCCCCC(=O)OC(CN1CCCCCC1)CS(=O)(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.60
MAPK1 P28482 3/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 4/20 0.46
PRKCA P17252 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCD Q05655 1/20 0.43
CYP1A2 P05177 2/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
HSP90AA1 P07900 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL17817115 1.00 GAA (0.60) GAAMAPK1MAPTALDH1A1L3MBTL1
SCHEMBL23001192 1.00 GAA (0.60) GAAMAPK1MAPTALDH1A1L3MBTL1
SCHEMBL18751431 0.89 GAA (0.48) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL18751446 0.89 GAA (0.48) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL18751423 0.89 GAA (0.48) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL17817240 0.89 GAA (0.48) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL18751406 0.89 GAA (0.48) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL18751426 0.89 GAA (0.48) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL18751405 0.88 GAA (0.47) GAAMAPK1MAPTALDH1A1LMNA
SCHEMBL17832884 0.85 GAA (0.67) GAAMAPK1MAPTALDH1A1L3MBTL1

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
EP-3229811-B1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS GRI BIO INC (US) 2021-02-24 EP disclosed
US-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS ALTIUM GROWTH FUND, LP 2016-06-09 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-20160158258-A1 PREVENTION AND TREATMENT OF INFLAMMATORY CONDITIONS RXRA, RXRG, CX3CR1 GAA 1932/4885MAPK1 2188/4885MAPT 4762/4885

“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.