SCHEMBL1503158

SCHEMBL1503158

NC(=O)c1cnc(C(=O)N(O)Cc2ccc(F)c(F)c2)c(O)c1CO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.40
MAPK8 P45983 1/20 0.37
RPS6KB1 P23443 2/20 0.36
AKT1 P31749 1/20 0.36
AURKA O14965 1/20 0.35
PTPN1 P18031 2/20 0.34
FYN P06241 1/20 0.34
VNN1 O95497 1/20 0.34
GPR52 Q9Y2T5 1/20 0.32
PARP1 P09874 1/20 0.32
HTT P42858 2/20 0.32
CSF1R P07333 2/20 0.31
LMNA P02545 1/20 0.30
PDK1 Q15118 1/20 0.30
STAT6 P42226 1/20 0.30

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
SCHEMBL1503196 0.91 PIK3CA (0.38) RIPK1RPS6KB1AURKAGPR52CSF1R
SCHEMBL1503224 0.88 RIPK1 (0.36) RIPK1MAPK8RPS6KB1AKT1AURKA
SCHEMBL1503114 0.86 JAK2 (0.33) MAPK8RPS6KB1AURKA
SCHEMBL1503287 0.82 MAPK8 (0.41) MAPK8RPS6KB1AURKAGPR52
SCHEMBL29829522 0.69 MET (0.43)
SCHEMBL1503063 0.67 GPR52 (0.43) RPS6KB1AKT1AURKAGPR52PARP1
SCHEMBL15746652 0.64 MAOB (0.38) VNN1
SCHEMBL1503156 0.62 LRRK2 (0.37)
SCHEMBL3443069 0.62 KDM4E (0.56) LMNA
SCHEMBL2217116 0.62 FYN (0.34) MAPK8RPS6KB1AURKAFYNVNN1

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 2459/4885MAPK8 3242/4885RPS6KB1 1100/4885

“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.