SCHEMBL2219276

SCHEMBL2219276

CC1(C)OCc2c(C(c3ccc(F)cc3)S(C)(=O)=O)cnc(C(=O)NO)c2O1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.34
HDAC1 Q13547 5/20 0.34
HDAC2 Q92769 5/20 0.34
HDAC6 Q9UBN7 5/20 0.34
MAOB P27338 1/20 0.34
MAOA P21397 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
SCHEMBL2160469 0.77 MAOB (0.33) MAOBMAOA
SCHEMBL1503177 0.77 ALDH1A1 (0.37) HDAC3HDAC1HDAC2HDAC6MAOB
SCHEMBL2146752 0.75 HSD11B1 (0.35) MAOB
SCHEMBL2146827 0.74 HSD11B1 (0.34) MAOB
SCHEMBL12515762 0.74 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6MAOB
SCHEMBL2216339 0.72 HDAC6 (0.44) HDAC3HDAC1HDAC2HDAC6MAOB
SCHEMBL2148983 0.72 MAOB (0.31) MAOB
SCHEMBL22719912 0.67 KMT2A (0.39) MAOB
SCHEMBL1503137 0.67 CYP1A2 (0.44)
SCHEMBL22719961 0.67 CCNA2 (0.34) MAOB

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 4 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-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE AMBRILIA BIOPHARMA, INC. (CA) 2011-07-21 US 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 HDAC3 4086/4885HDAC1 2694/4885HDAC2 3145/4885

“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.