SCHEMBL5878418

SCHEMBL5878418

[CH2]CCOP(=O)(OCC)OCC

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
CYP3A4 P08684 2/20 0.48
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARD Q03181 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL8962338 0.84 TSHR (0.81) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL27822049 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL28023664 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL1332591 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
Triethyl Phosphate SCHEMBL21887 0.81 TSHR (1.00) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL5878412 0.79 TSHR (0.39) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL27042377 0.79 TSHR (0.72) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL342779 0.79 TSHR (0.72) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL575225 0.79 TSHR (0.72) TSHRCYP3A4ALDH1A1TP53TDP1
SCHEMBL575634 0.79 TSHR (0.72) TSHRCYP3A4ALDH1A1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7053114-B2 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. (US) 2006-05-30 US disclosed
US-6797725-B2 SUCH AS 4-METHYL-5-(2-OXO-1,2-DIHYDROINDOL-3-YLILDENEMETHYL)-1H-PYRROLE-2-CARBOXYLIC ACID FOR PREVENTION AND TREATMENT OF PROTEIN KINASE RELATED CELLULAR DISORDERS; ANTICANCER AGENTS SUGEN, INC. 2004-09-28 US disclosed
US-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN, INC. 2004-09-23 US disclosed
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives SUGEN. INC. 2003-05-29 US disclosed
WO-2002081466-A1 PRODRUGS OF 3-(PYRROL-2-YLMETHYLIDENE)-2-INDOLINONE DERIVATIVES SUGEN, INC. (US) 2002-10-17 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 (2 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-20040186161-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 TSHR 2616/4885CYP3A4 2122/4885ALDH1A1 1738/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 TSHR 2616/4885CYP3A4 2122/4885ALDH1A1 1738/4885

“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.