SCHEMBL30008310

SCHEMBL30008310

CCCCC(=O)Nc1ccc(F)cn1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.76
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
MAPK1 P28482 2/20 0.63
GLA P06280 1/20 0.63
DEGS1 O15121 1/20 0.63
MAPT P10636 3/20 0.58
ALDH1A1 P00352 2/20 0.56
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.50

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
SCHEMBL18629790 0.84 HSD17B10 (0.57) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL29563708 0.84 HSD17B10 (0.57) SMN1; SMN2RAB9ANPC1MAPK1MAPT
SCHEMBL1849856 0.83 SMN1; SMN2 (0.73) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL30008144 0.82 RAB9A (1.00) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL30008478 0.82 L3MBTL1 (0.91) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL3403751 0.81 TSHR (0.68) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL24616562 0.79 SMN1; SMN2 (0.68) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL1848388 0.79 L3MBTL1 (0.72) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL24738246 0.79 SMN1; SMN2 (0.58) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1
SCHEMBL24738248 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1L3MBTL1MAPK1

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-20220402875-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2022-12-22 US disclosed
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 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-20220402875-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 SMN1; SMN2 1852/4885RAB9A 2566/4885NPC1 292/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 SMN1; SMN2 1852/4885RAB9A 2566/4885NPC1 292/4885

“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.