SCHEMBL16751925

SCHEMBL16751925

Cc1nc(C(N)=O)sc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
IKBKB O14920 2/20 0.34
LIMK1 P53667 2/20 0.34
SCN9A Q15858 1/20 0.32
NPC1 O15118 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIM3 Q86V86 2/20 0.31
PRKACA P17612 2/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL18355569 0.83 SMN1; SMN2 (0.37) ALDH1A1MAPTNPC1KDM4EHTT
SCHEMBL9995995 0.81 ALDH1A1 (0.39) ALDH1A1MAPTNPC1KDM4EHPGD
SCHEMBL2677906 0.78 NOS1 (0.44) ALDH1A1MAPTIKBKBLIMK1SCN9A
SCHEMBL12894510 0.76 ALDH1A1 (0.45) ALDH1A1MAPTNPC1KDM4ELMNA
SCHEMBL2592035 0.76 ALDH1A1 (0.42) ALDH1A1MAPTIKBKBNPC1KDM4E
SCHEMBL4769662 0.75 IKBKB (0.34) ALDH1A1MAPTIKBKBLIMK1SCN9A
SCHEMBL3383806 0.75 ALDH1A1 (0.38) ALDH1A1MAPTIKBKBLIMK1SCN9A
SCHEMBL18356097 0.75 GSK3B (0.43) ALDH1A1MAPTHPGDTSHR
SCHEMBL16751984 0.75 ALDH1A1 (0.42) ALDH1A1MAPTHTTHPGDRAB9A
SCHEMBL31675965 0.73 ALDH1A1 (0.55) ALDH1A1MAPTIKBKBLIMK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11472772-B2 S1P3 antagonists TEVA PHARMACEUTICAL INDUSTRIES LIMITED (IL) 2022-10-18 US disclosed
EP-3896068-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2021-10-20 EP disclosed
EP-3689864-A1 S1P3 ANTAGONISTS Teva Pharmaceutical Industries Limited (IL) 2020-08-05 EP disclosed
US-20200157052-A1 S1P3 Antagonists TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2020-05-21 US disclosed
EP-3086845-B1 S1P3 ANTAGONISTS TEVA PHARMACEUTICAL INDUSTRIES LTD (IL) 2019-11-20 EP disclosed
EP-2878339-A1 SIP3 antagonists Siena Biotech S.p.A. (IT) 2015-06-03 EP 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-20200157052-A1 S1P3 Antagonists S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885MAPT 697/4885IKBKB 3255/4885
US-11472772-B2 S1P3 antagonists S1PR3, S1PR5, S1PR1 ALDH1A1 2988/4885MAPT 697/4885IKBKB 3255/4885

“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.