SCHEMBL1503155

SCHEMBL1503155

Cc1c(CN(Cc2ccc(F)cc2)C(=O)OC(C)(C)C)cnc(C(=O)NO)c1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.39
ERBB2 P04626 6/20 0.39
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
NCOR2 Q9Y618 1/20 0.39
KDM1A O60341 2/20 0.38
HDAC6 Q9UBN7 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
SSTR4 P31391 1/20 0.36
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
GAA P10253 2/20 0.34
RIPK1 Q13546 2/20 0.34
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL1503258 0.84 EGFR (0.41) EGFRERBB2HDAC3HDAC1HDAC6
SCHEMBL2146742 0.79 EGLN1 (0.43) HDAC3HDAC1HDAC2NCOR2HDAC6
SCHEMBL1503246 0.78 EGFR (0.36) EGFRERBB2HDAC3HDAC1HDAC2
SCHEMBL1503276 0.76 AR (0.40) HDAC3HDAC1HDAC2NCOR2HDAC6
SCHEMBL1503263 0.74 MMP1 (0.44) GAA
SCHEMBL2216328 0.74 EGFR (0.41) EGFRERBB2HDAC3HDAC1HDAC6
SCHEMBL2892096 0.68 HDAC3 (0.45) HDAC3HDAC1HDAC2NCOR2KDM1A
SCHEMBL1503201 0.68 MAOB (0.41) HDAC3HDAC1HDAC2HDAC6
SCHEMBL4744310 0.68 SSTR4 (0.56) HDAC3HDAC1HDAC2NCOR2KDM1A
SCHEMBL2897902 0.68 HDAC3 (0.46) HDAC3HDAC1HDAC2NCOR2KDM1A

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 EGFR 3495/4885ERBB2 2439/4885HDAC3 4086/4885

“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.