SCHEMBL12328428

SCHEMBL12328428

CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccnc2)C1=O)=C\c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.74
▸ POLB P06746 5/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ PTPN7 P35236 2/20 0.74
▸ PTPN12 Q05209 2/20 0.74
▸ GPR35 Q9HC97 2/20 0.74
▸ PTPN22 Q9Y2R2 2/20 0.74
▸ PLA2G1B P04054 2/20 0.74
▸ ATG4B Q9Y4P1 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ GAA P10253 2/20 0.74
▸ GPR55 Q9Y2T6 1/20 0.74
▸ NPC1 O15118 2/20 0.69
▸ ATM Q13315 1/20 0.69
▸ KMT2A Q03164 10/20 0.69
▸ MEN1 O00255 9/20 0.69
▸ SMN1; SMN2 Q16637 4/20 0.69
▸ RAB9A P51151 3/20 0.69
▸ MAPK1 P28482 3/20 0.69
▸ TP53 P04637 1/20 0.69

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
SCHEMBL12328427 0.90 KMT2A (0.76) MAPTPOLBALDH1A1PTPN7PTPN12
SCHEMBL17240993 0.82 KMT2A (1.00) MAPTPOLBALDH1A1PTPN7PTPN12
SCHEMBL17240991 0.82 KMT2A (1.00) MAPTPOLBALDH1A1PTPN7PTPN12
SCHEMBL16994217 0.79 RAB9A (1.00) MAPTPOLBALDH1A1PLA2G1BATG4B
SCHEMBL12008983 0.79 POLB (1.00) MAPTPOLBALDH1A1LMNAGAA
SCHEMBL13417308 0.77 KMT2A (1.00) MAPTPOLBALDH1A1PTPN7PTPN12
SCHEMBL12328425 0.74 MAPT (0.84) MAPTPOLBALDH1A1PTPN7PTPN12
SCHEMBL12008878 0.73 POLB (0.90) MAPTPOLBLMNANPC1KMT2A
Epalrestat SCHEMBL49049 0.73 MAPT (1.00) MAPTPOLBALDH1A1PTPN7PTPN12
Epalrestat SCHEMBL6679566 0.73 MAPT (1.00) MAPTPOLBALDH1A1PTPN7PTPN12

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-8906937-B2 Flavivirus inhibitors and methods of their use GEORGETOWN UNIVERSITY (US) 2014-12-09 — — US disclosed
US-20140038962-A1 Flavivirus Inhibitors and Methods of Their Use GEORGETOWN UNIVERSITY (US) 2014-02-06 — — US disclosed
US-8563580-B2 Flavivirus inhibitors and methods for their use GEORGETOWN UNIVERSITY (US) 2013-10-22 — — US disclosed
US-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2011-09-15 — — US disclosed
WO-2010039538-A2 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE GEORGETOWN UNIVERSITY (US) 2010-04-08 — — 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-20110224207-A1 FLAVIVIRUS INHIBITORS AND METHODS FOR THEIR USE SERPINB1, SPINT2, MME MAPT 1317/4885POLB 3870/4885ALDH1A1 1498/4885
US-20140038962-A1 Flavivirus Inhibitors and Methods of Their Use SERPINB1, SPINT2, MME MAPT 1488/4885POLB 3460/4885ALDH1A1 1625/4885

“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.

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