SCHEMBL5878426

SCHEMBL5878426

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

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
ALDH1A1 P00352 2/20 0.36
TSHR P16473 3/20 0.33
LMNA P02545 1/20 0.30
ALOX15 P16050 1/20 0.30
ACHE P22303 1/20 0.30

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
SCHEMBL343453 0.83 CYP3A4 (0.46) CYP3A4ALDH1A1TSHRLMNAALOX15
SCHEMBL5878424 0.80 CYP3A4 (0.36) CYP3A4ALDH1A1TSHR
SCHEMBL11908183 0.78 CYP3A4 (0.42) CYP3A4ALDH1A1TSHRLMNAALOX15
SCHEMBL13224500 0.78 CYP3A4 (0.55) CYP3A4ALDH1A1TSHR
SCHEMBL5878418 0.77 TSHR (0.65) CYP3A4ALDH1A1TSHR
SCHEMBL575659 0.76 CYP3A4 (0.52) CYP3A4ALDH1A1TSHR
SCHEMBL22578316 0.74 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRLMNAALOX15
SCHEMBL7634088 0.74 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRLMNAALOX15
SCHEMBL19857507 0.74 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRLMNAALOX15
SCHEMBL2773549 0.74 CYP3A4 (0.39) CYP3A4ALDH1A1TSHRLMNAALOX15

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 CYP3A4 2122/4885ALDH1A1 1738/4885TSHR 2616/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 CYP3A4 2122/4885ALDH1A1 1738/4885TSHR 2616/4885

“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.