SCHEMBL30008066

SCHEMBL30008066

CCCCC(=O)Nc1cccc(F)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ ADORA1 P30542 2/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ DEGS1 O15121 1/20 0.46
▸ CETP P11597 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ FFAR2 O15552 1/20 0.44
▸ TSHR P16473 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43

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
SCHEMBL15305700 0.89 SMN1; SMN2 (0.58) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL30071274 0.84 SMN1; SMN2 (0.51) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL4891209 0.83 RAB9A (0.60) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL27823174 0.82 NPC1 (0.52) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL23619457 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL821743 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL3632906 0.78 RAB9A (0.51) SMN1; SMN2RAB9ANPC1GLAMAPK1
SCHEMBL91555 0.78 NPC1 (0.51) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL31241081 0.77 RAB9A (0.62) SMN1; SMN2ADORA1ADORA3RAB9ANPC1
SCHEMBL8114906 0.76 ADORA1 (0.47) SMN1; SMN2ADORA1ADORA3RAB9ANPC1

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 1852/4885ADORA1 74/4885ADORA3 18/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 SMN1; SMN2 1852/4885ADORA1 74/4885ADORA3 18/4885

“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