SCHEMBL2147160

SCHEMBL2147160

COC(=O)c1ncc(C(OC(C)=O)c2ccc(F)cc2)c(C)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
HPGD P15428 1/20 0.40
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FFAR1 O14842 1/20 0.36
SLC6A2 P23975 3/20 0.36
SLC6A4 P31645 3/20 0.36
SLC6A3 Q01959 3/20 0.36
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
ACACB O00763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM5A P29375 1/20 0.35

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
SCHEMBL2146810 0.86 LMNA (0.43) LMNAHPGDPTPN1ALDH1A1USP2
SCHEMBL2147308 0.77 CCNB2 (0.47) LMNAHPGDPTPN1ALDH1A1USP2
SCHEMBL1503247 0.77 AR (0.45) LMNAHPGDALDH1A1NPC1RAB9A
SCHEMBL2146961 0.75 LMNA (0.39) LMNAALDH1A1FFAR1MAPTNPC1
SCHEMBL2146762 0.72 LMNA (0.50) LMNAHPGDPTPN1ALDH1A1USP2
SCHEMBL1503281 0.72 LMNA (0.50) LMNAHPGDPTPN1ALDH1A1USP2
SCHEMBL2146827 0.71 HSD11B1 (0.34) LMNAALDH1A1SLC6A3MAPTKDM4E
SCHEMBL13850950 0.71 LMNA (0.44) LMNAHPGDALDH1A1USP2TSHR
SCHEMBL2187912 0.69 MAPT (0.58) LMNAHPGDALDH1A1MAPTRAB9A
SCHEMBL83038 0.69 LMNA (0.58) LMNAHPGDALDH1A1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664248-B2 Derivatives of pyridoxine for inhibiting HIV integrase TAIMED BIOLOGICS, INC. (TW) 2014-03-04 US disclosed
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA, INC. (CA) 2012-12-27 US disclosed
EP-2526091-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TaiMed Biologics, Inc. (TW) 2012-11-28 EP disclosed
US-8283366-B2 Derivatives of pyridoxine for inhibiting HIV integrase AMBRILIA BIOPHARMA, INC. (CA) 2012-10-09 US disclosed
US-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE TAIMED BIOLOGICS, INC. (TW) 2011-07-28 US disclosed
WO-2011088549-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE AMBRILIA BIOPHARMA INC. (CA) 2011-07-28 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-20110184028-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD LMNA 1522/4885HPGD 83/4885PTPN1 2384/4885
US-20120329827-A1 DERIVATIVES OF PYRIDOXINE FOR INHIBITING HIV INTEGRASE PNPO, IMPDH1, DPYD LMNA 1522/4885HPGD 83/4885PTPN1 2384/4885

“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.