SCHEMBL1503196

SCHEMBL1503196

NC(=O)c1cnc(C(=O)N(O)Cc2ccc(F)c(Cl)c2)c(O)c1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.38
GPR52 Q9Y2T5 1/20 0.35
CASP1 P29466 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SLC6A9 P48067 2/20 0.34
KCNH2 Q12809 2/20 0.34
CSF1R P07333 4/20 0.34
IDO1 P14902 1/20 0.32
MAPK1 P28482 1/20 0.32
RPS6KB1 P23443 2/20 0.32
AURKA O14965 1/20 0.32
CD38 P28907 1/20 0.32
STAT6 P42226 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL1503133 0.91 GBA1 (0.36) PIK3CARPS6KB1AURKACD38STAT6
SCHEMBL1503158 0.91 RIPK1 (0.40) GPR52CSF1RRPS6KB1AURKASTAT6
SCHEMBL1503224 0.85 RIPK1 (0.36) RPS6KB1AURKARIPK1
SCHEMBL1503114 0.83 JAK2 (0.33) RPS6KB1AURKA
SCHEMBL1503287 0.79 MAPK8 (0.41) GPR52HDAC3HDAC1HDAC2HDAC6
SCHEMBL1503063 0.78 GPR52 (0.43) PIK3CAGPR52CASP1HDAC3HDAC1
SCHEMBL29829563 0.71 HDAC1 (0.52) PIK3CAHDAC3HDAC1HDAC2HDAC6
SCHEMBL1503191 0.71 HDAC1 (0.52) PIK3CAHDAC3HDAC1HDAC2HDAC6
SCHEMBL4304552 0.66 KDM5A (0.40) PIK3CAHDAC3HDAC1HDAC2HDAC6
SCHEMBL24065372 0.65 HDAC1 (0.52) PIK3CAHDAC3HDAC1HDAC2HDAC6

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 13 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
EP-3687538-B1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INST (CA) 2024-04-17 EP disclosed
US-11931348-B2 Methods of treating elevated plasma cholesterol Montréal Heart Institute (CA) 2024-03-19 US disclosed
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montréal Heart Institute (CA) 2023-03-23 US disclosed
US-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL MONTREAL HEART INSTITUTE (CA) 2021-12-02 US disclosed
EP-3687538-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL Montreal Heart Institute (CA) 2020-08-05 EP 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
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 (4 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-20210369688-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB PIK3CA 3645/4885GPR52 584/4885CASP1 3086/4885
US-20110178120-A1 HIV INTEGRASE INHIBITORS FROM PYRIDOXINE PNPO, CCNB1, BLVRB PIK3CA 575/4885GPR52 3613/4885CASP1 2115/4885
US-11931348-B2 Methods of treating elevated plasma cholesterol CETP, LDLR, APOB PIK3CA 3645/4885GPR52 584/4885CASP1 3086/4885
US-20230088095-A1 METHODS OF TREATING ELEVATED PLASMA CHOLESTEROL CETP, LDLR, APOB PIK3CA 3645/4885GPR52 584/4885CASP1 3086/4885

“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.