SCHEMBL3200420

SCHEMBL3200420

C=C(C)C(=O)Nc1ccc(S(=O)(=O)c2ccc(OP(=O)(O)Oc3ccc(S(=O)(=O)c4ccc(NC(=O)C(=C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 5/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
POLB P06746 1/20 0.42
PRMT1 Q99873 2/20 0.41
MEN1 O00255 3/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA7 P43166 2/20 0.39
NAMPT P43490 1/20 0.38

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
SCHEMBL3191949 0.92 PKM (0.44) PKMRXFP1CYP2C19MAPTATM
SCHEMBL3193608 0.91 PKM (0.46) PKMRXFP1CYP2C19MAPTATM
SCHEMBL3188455 0.90 RXFP1 (0.53) RXFP1MAPTALDH1A1KMT2ALMNA
SCHEMBL3187581 0.86 RXFP1 (0.49) RXFP1ALDH1A1KMT2ALMNAMEN1
SCHEMBL7603741 0.85 PKM (0.50) PKMRXFP1CYP2C19MAPTATM
SCHEMBL7607384 0.84 PKM (0.59) PKMRXFP1CYP2C19MAPTATM
SCHEMBL3189020 0.83 RXFP1 (0.46) RXFP1CYP2C19MAPTKMT2ALMNA
SCHEMBL3190667 0.83 SAE1 (0.48) RXFP1CYP2C19MAPTALDH1A1KMT2A
SCHEMBL907017 0.82 RXFP1 (0.53) RXFP1ALDH1A1KMT2ALMNAPOLB
SCHEMBL3196268 0.82 RXFP1 (0.44) RXFP1MAPTALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION MITSUI CHEMICALS, INC. (JP) 2010-02-04 US disclosed
EP-2058318-A1 PHOSPHATE ESTER COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL, AND DENTAL COMPOSITION Mitsui Chemicals, Inc. (JP) 2009-05-13 EP 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-20100024683-A1 PHOSPHATE COMPOUND, METAL SALT THEREOF, DENTAL MATERIAL AND DENTAL COMPOSITION CAD, PPIP5K2, SLC20A1 PKM 3177/4885RXFP1 4811/4885CYP2C19 4353/4885

“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.