SCHEMBL1503177

SCHEMBL1503177

CC1(C)OCc2c(CS(=O)(=O)Cc3ccc(F)cc3)cnc(C(=O)NO)c2O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 4/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.34
HDAC1 Q13547 5/20 0.33
HDAC6 Q9UBN7 5/20 0.33
HDAC3 O15379 4/20 0.33
HDAC2 Q92769 4/20 0.33
MAOB P27338 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
HDAC4 P56524 1/20 0.32

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
SCHEMBL2216001 0.90 KMT2A (0.39) ALDH1A1KMT2AMAPK1USP2LMNA
SCHEMBL2216339 0.79 HDAC6 (0.44) ALDH1A1KMT2AMAPK1HDAC1HDAC6
SCHEMBL2219276 0.77 HDAC3 (0.34) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL12935668 0.76 KMT2A (0.42) ALDH1A1KMT2AMAPK1LMNANPSR1
SCHEMBL12444362 0.76 ALDH1A1 (0.40) ALDH1A1KMT2AMAPK1MAPTHDAC1
SCHEMBL1503084 0.75 SMPD1 (0.39) ALDH1A1KMT2AMAPK1CYP2C19MAPT
SCHEMBL22719912 0.74 KMT2A (0.39) ALDH1A1KMT2AMAPK1LMNAMEN1
SCHEMBL1503256 0.73 USP2 (0.39) ALDH1A1KMT2AUSP2LMNANPSR1
SCHEMBL12515762 0.73 HDAC3 (0.43) HDAC1HDAC6HDAC3HDAC2MAOB
SCHEMBL1503245 0.72 KMT2A (0.43) ALDH1A1KMT2AMAPK1MEN1MAPT

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 9 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-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
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 ALDH1A1 334/4885KMT2A 1953/4885MAPK1 1638/4885

“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.