SCHEMBL1503224

SCHEMBL1503224

NC(=O)c1cnc(C(=O)N(O)Cc2ccc(F)cc2)c(O)c1CO

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
ALOX5 P09917 2/20 0.34
ROCK1 Q13464 1/20 0.33
JAK3 P52333 2/20 0.33
RPS6KB1 P23443 3/20 0.33
AKT1 P31749 1/20 0.33
AURKA O14965 1/20 0.32
MAOB P27338 1/20 0.32
PARP10 Q53GL7 1/20 0.32
GRM2 Q14416 1/20 0.32
MAPK8 P45983 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
FYN P06241 1/20 0.31
GRK5 P34947 1/20 0.31
SYK P43405 1/20 0.31
PTPN1 P18031 1/20 0.31
KCNA5 P22460 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
SCHEMBL1503114 0.89 JAK2 (0.33) JAK3RPS6KB1AURKAMAPK8JAK2
SCHEMBL1503158 0.88 RIPK1 (0.40) RIPK1RPS6KB1AKT1AURKAMAPK8
SCHEMBL1503196 0.85 PIK3CA (0.38) RIPK1RPS6KB1AURKA
SCHEMBL1503129 0.75 RIPK1 (0.35) RIPK1JAK3JAK2JAK1TYK2
SCHEMBL1503172 0.73 KDM4E (0.45)
SCHEMBL1503149 0.67 KMT2A (0.48)
SCHEMBL4302963 0.67 NPC1 (0.46)
SCHEMBL1503237 0.66 KMT2A (0.45)
SCHEMBL12516306 0.66 NPC1 (0.44) SYK
SCHEMBL2216328 0.65 EGFR (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US claimed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US claimed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP claimed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 WO claimed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US disclosed
EP-2300433-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE Ambrilia Biopharma Inc. (CA) 2011-03-30 EP disclosed
WO-2009146555-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA INC. (CA) 2009-12-10 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB RIPK1 2459/4885ALOX5 265/4885ROCK1 2186/4885

“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.