SCHEMBL2348285

SCHEMBL2348285

COC(=O)CCc1cc(C(=O)c2cccc(Cl)c2C(=O)O)c(O)c(Cl)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.36
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SLC16A3 O15427 1/20 0.34
TSHR P16473 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
CCR9 P51686 1/20 0.33
HSP90B1 P14625 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33
CYP2C19 P33261 1/20 0.33
HMGB1 P09429 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HSP90AA1 P07900 1/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL10138023 0.91 TSHR (0.37) PBRM1KMT2AMEN1SLC16A3TSHR
SCHEMBL4011696 0.89 KMT2A (0.41) KMT2AMEN1SIRT2HMGB1CYP3A4
SCHEMBL4363671 0.88 DPP4 (0.37) KMT2AMEN1HSP90B1HSP90AA1POLB
SCHEMBL4356056 0.83 L3MBTL1 (0.34) KMT2AMEN1TSHRCYP1A2PKM
SCHEMBL4361731 0.83 L3MBTL1 (0.32) KMT2AMEN1HSP90B1CYP1A2CYP2C9
SCHEMBL4358865 0.81 ALDH1A1 (0.36) KMT2AMEN1CYP1A2CYP2C19CYP3A4
SCHEMBL4011884 0.80 ALDH1A1 (0.36) KMT2AMEN1TSHRCYP1A2CYP2C19
SCHEMBL15624021 0.79 SLC16A3 (0.34) PBRM1SLC16A3TSHRSIRT2CCR9
SCHEMBL4422459 0.76 L3MBTL1 (0.37) KMT2AMEN1SLC16A3TSHRL3MBTL1
SCHEMBL4018520 0.75 KMT2A (0.41) KMT2AMEN1SIRT2HMGB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781675-B1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES INC (US) 2014-03-26 EP disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
EP-1991552-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES Epoch Biosciences, Inc. (US) 2008-11-19 EP disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
WO-2007098182-A2 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2007-08-30 WO disclosed
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 US disclosed
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2006-09-07 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 (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-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 PBRM1 3721/4885KMT2A 3091/4885MEN1 1647/4885
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 PBRM1 3464/4885KMT2A 3036/4885MEN1 1539/4885
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 PBRM1 3721/4885KMT2A 3091/4885MEN1 1647/4885
US-20060199955-A1 Phosphonylated fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 PBRM1 3464/4885KMT2A 3036/4885MEN1 1539/4885

“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.