SCHEMBL8224704

SCHEMBL8224704

Cn1c(SCC(=O)O)nc2cc(F)c(F)cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
HTT P42858 1/20 0.59
USP2 O75604 1/20 0.52
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
CSNK2A2 P19784 1/20 0.45
CSNK2A1 P68400 1/20 0.45
PKM P14618 1/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PDPK1 O15530 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK10 P53779 1/20 0.40
MAPK14 Q16539 1/20 0.40
POLB P06746 1/20 0.40
CTDSP1 Q9GZU7 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
Hydrochloric Acid SCHEMBL3519027 0.99 ALOX15 (0.57) ALOX15HTTUSP2ALDH1A1L3MBTL1
SCHEMBL8233041 0.83 POLB (0.56) ALOX15HTTALDH1A1LMNAGAA
SCHEMBL8226106 0.79 USP2 (0.54) USP2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL8234215 0.79 MEN1 (0.60) USP2ALDH1A1L3MBTL1LMNAMAPT
Hydrochloric Acid SCHEMBL3515589 0.78 USP2 (0.53) USP2ALDH1A1L3MBTL1LMNAMAPT
Hydrochloric Acid SCHEMBL3516384 0.78 MEN1 (0.58) USP2ALDH1A1L3MBTL1LMNAMAPT
SCHEMBL4476411 0.77 ALDH1A1 (0.71) USP2ALDH1A1L3MBTL1PKMLMNA
Hydrochloric Acid SCHEMBL3519020 0.75 ALDH1A1 (0.69) USP2ALDH1A1L3MBTL1PKMLMNA
SCHEMBL17131811 0.75 HTT (1.00) ALOX15HTTALDH1A1MAPK14
SCHEMBL5717654 0.69 POLB (0.74) ALOX15HTTUSP2ALDH1A1L3MBTL1

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-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2010-02-04 US disclosed
WO-2008008551-A2 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-01-17 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 (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-20100029736-A1 2-SUBSTITUTED PROLINE BIS-AMIDE OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 ALOX15 2411/4885HTT 301/4885USP2 1566/4885

“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.