SCHEMBL5878644

SCHEMBL5878644

[CH2]COP(=O)(OOCC)OOCC

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 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
SCHEMBL20590445 0.82 TSHR (0.63) TSHRTP53TDP1CYP3A4
SCHEMBL5878412 0.82 TSHR (0.39) TSHRTP53TDP1CYP3A4
SCHEMBL121928 0.79 TSHR (0.47) TSHRTP53TDP1CYP3A4
SCHEMBL5878647 0.77 TSHR (0.72) TSHRTP53TDP1CYP3A4
SCHEMBL29128676 0.74 TSHR (0.43) TSHRTP53TDP1CYP3A4
SCHEMBL28271278 0.72 TSHR (0.41) TSHRTP53TDP1CYP3A4
SCHEMBL8630077 0.71 TSHR (0.37) TSHRTP53TDP1
SCHEMBL10988680 0.71 TSHR (0.38) TSHRTP53TDP1
SCHEMBL3800189 0.70 TSHR (0.39) TSHRTP53TDP1
SCHEMBL10365176 0.70 TSHR (0.39) TSHRTP53TDP1

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 2616/4885TP53 271/4885TDP1 899/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 TSHR 2616/4885TP53 271/4885TDP1 899/4885

“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.