SCHEMBL1503138

SCHEMBL1503138

COC(=O)c1ncc(CNCCc2ccc(F)cc2)c(CO)c1O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.40
MAPT P10636 1/20 0.40
HDAC1 Q13547 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
SLC6A5 Q9Y345 1/20 0.39
CHEK1 O14757 2/20 0.38
FPR2 P25090 1/20 0.38

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
SCHEMBL2221780 0.88 KDM4E (0.47) KMT2AL3MBTL1TRPV6KDM4EALDH1A1
SCHEMBL1503238 0.86 HDAC1 (0.49) KMT2AL3MBTL1TRPV6KDM4EALDH1A1
SCHEMBL12444364 0.82 ALOX5 (0.40) KMT2AL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL27833103 0.81 KDM4E (0.46) KMT2AL3MBTL1TRPV6KDM4EALDH1A1
SCHEMBL1503319 0.80 KMT2A (0.38) KMT2AL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL1503229 0.79 MAPT (0.46) KMT2AKDM4EALDH1A1MAPTCHEK1
SCHEMBL1503187 0.79 ALDH1A1 (0.41) KMT2AKDM4EALDH1A1MEN1MAPT
SCHEMBL1503317 0.78 KMT2A (0.35) KMT2ATRPV6KDM4EMEN1MAPT
SCHEMBL2146828 0.76 MAPT (0.44) KMT2AL3MBTL1KDM4EALDH1A1MEN1
SCHEMBL12516709 0.76 HDAC1 (0.43) KMT2AKDM4EALDH1A1HDAC1

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
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
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
US-8742123-B2 HIV integrase inhibitors from pyridoxine TAIMED BIOLOGICS, INC. (TW) 2014-06-03 US disclosed
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
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 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 KMT2A 1953/4885L3MBTL1 200/4885TRPV6 3578/4885

“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.