SCHEMBL2196765

SCHEMBL2196765

O=C(Nc1ccc(-c2nc3ccc(O)cc3s2)cc1)c1ccc(OCCC(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SULT1A1 P50225 4/20 0.55
MAPT P10636 6/20 0.50
LMNA P02545 1/20 0.50
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
APP P05067 5/20 0.48
RXFP1 Q9HBX9 1/20 0.47
TP53 P04637 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DYRK1A Q13627 2/20 0.46
DYRK1B Q9Y463 1/20 0.44
SNCA P37840 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
SCHEMBL2195599 0.96 SULT1A1 (0.55) SULT1A1MAPTLMNAMMP2MMP9
SCHEMBL2194068 0.91 SULT1A1 (0.57) SULT1A1MAPTLMNAMMP2MMP9
SCHEMBL12422001 0.90 MAPT (0.63) MAPTLMNARXFP1TP53SMN1; SMN2
SCHEMBL1988895 0.90 MAPT (0.54) MAPTLMNAAPPRXFP1TP53
SCHEMBL16256408 0.89 SULT1A1 (0.57) SULT1A1MAPTLMNAMMP2MMP9
SCHEMBL16256405 0.88 SULT1A1 (0.56) SULT1A1MAPTLMNAMMP2MMP9
SCHEMBL12422000 0.88 MAPT (0.62) MAPTLMNARXFP1TP53SMN1; SMN2
SCHEMBL2193681 0.88 MAPT (0.53) MAPTLMNAAPPRXFP1TP53
SCHEMBL1998019 0.81 APP (0.70) SULT1A1MAPTLMNAMMP2MMP9
SCHEMBL2191674 0.81 MAPT (0.56) MAPTLMNAAPPTP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
CN-102224423-B Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-10-22 CN disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 SULT1A1 2925/4885MAPT 1/4885LMNA 2458/4885

“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.