SCHEMBL12189778

SCHEMBL12189778

CCn1c(O)c(/N=N/c2cc(Nc3nc(F)nc(Nc4cc(S(=O)(=O)O)ccc4Cl)n3)ccc2S(=O)(=O)O)c(C)c(C(N)=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.39
▸ P2RX3 P56373 1/20 0.33
▸ CHAT P28329 4/20 0.32
▸ USP2 O75604 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ CAMK2D Q13557 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
SCHEMBL13815207 0.89 FUT8 (0.32) FUT8CAMK2D
SCHEMBL12173072 0.89 MAPT (0.34) FUT8CHATENPP3ENPP1CAMK2D
SCHEMBL13763511 0.87 CAMK2D (0.31) FUT8CAMK2D
SCHEMBL20390575 0.85 FUT8 (0.40) FUT8P2RX3CHATUSP2APEX1
SCHEMBL13764095 0.83 FUT8 (0.38) FUT8P2RX3CHATUSP2APEX1
SCHEMBL12053415 0.81 FUT8 (0.38) FUT8P2RX3CHATUSP2APEX1
SCHEMBL16626829 0.81 FUT8 (0.40) FUT8CHATUSP2APEX1ENPP3
SCHEMBL12173082 0.80 FUT8 (0.38) FUT8CHATUSP2APEX1ENPP3
SCHEMBL12646575 0.80 FUT8 (0.38) FUT8CHATUSP2APEX1ENPP3
SCHEMBL13715876 0.78 CA12 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403987-B2 Charged particles BASF SE (DE) 2016-08-02 — — US disclosed
US-20120229884-A1 CHARGED PARTICLES BASF SE (DE) 2012-09-13 — — US disclosed
US-7543926-B2 Process for printing textile fibre materials in accordance with the ink-jet printing process HUNTSMAN INTERNATIONAL LLC (US) 2009-06-09 — — US disclosed
US-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes BASF SE (DE) 2009-04-16 — — US disclosed
WO-2007063024-A2 KERATIN-BINDING EFFECTOR MOLECULES CONTAINING REACTIVE DYES BASF SE (DE) 2007-06-07 — — 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 (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-20090098074-A1 Keratin-Binding Effector Molecules Containing Reactive Dyes KRT18, KLK3, KLKB1 FUT8 2015/4885P2RX3 4717/4885CHAT 4242/4885
US-20120229884-A1 CHARGED PARTICLES POLE3, POLD3, IPO4 FUT8 769/4885P2RX3 2126/4885CHAT 1302/4885

“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