SCHEMBL2700835

SCHEMBL2700835

COC(=O)c1cc(NC(=O)c2ccccc2OC(C)=O)cc(C(=O)OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 4/20 0.54
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KCNK3 O14649 2/20 0.52
KCNK9 Q9NPC2 2/20 0.52
MAPT P10636 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 3/20 0.51
PTPN11 Q06124 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.51
RECQL P46063 1/20 0.51
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL2698562 0.88 ALDH1A1 (0.63) ALDH1A1L3MBTL1KDM4EKMT2AHPGD
SCHEMBL11796549 0.85 KDM4E (0.58) ALDH1A1L3MBTL1KDM4EKMT2AHPGD
SCHEMBL11791718 0.84 KCNK3 (0.52) ALDH1A1KDM4EKMT2AHPGDPOLB
SCHEMBL2698794 0.82 KMT2A (0.55) ALDH1A1KDM4EKMT2AHPGDPOLB
SCHEMBL10192623 0.81 KMT2A (0.68) ALDH1A1KDM4EKMT2AHPGDKCNK3
SCHEMBL331634 0.81 FADS1 (0.58) ALDH1A1KDM4EKMT2AHPGDKCNK3
SCHEMBL11789596 0.81 MAPT (0.58) ALDH1A1KDM4EKMT2APOLBKCNK3
SCHEMBL11791117 0.81 MAPT (0.58) ALDH1A1KDM4EKMT2AHPGDPOLB
SCHEMBL7344448 0.80 PYGL (0.58) ALDH1A1KMT2AMAPTRAB9AMEN1
SCHEMBL11594925 0.78 DHODH (0.50) ALDH1A1KDM4EKMT2AHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 ALDH1A1 533/4885L3MBTL1 4556/4885KDM4E 3251/4885

“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.