SCHEMBL5878845

SCHEMBL5878845

CCN(CC)CC(O)CNC=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 4/20 0.41
ADH1A P07327 4/20 0.41
ADH1C P00326 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.36
ABCB1 P08183 4/20 0.33
ADH7 P40394 3/20 0.33
TSHR P16473 2/20 0.33
BCL2 P10415 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
ACHE P22303 1/20 0.32
MAPT P10636 1/20 0.31
POLB P06746 1/20 0.30
EPHX1 P07099 1/20 0.30
ADH4 P08319 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
SCHEMBL15835860 0.89 ADH1B (0.36) ADH1BADH1AADH1CL3MBTL1KDM4E
SCHEMBL15835907 0.82 ADH1B (0.40) ADH1BADH1AADH1CKDM4EADH7
SCHEMBL5878451 0.79 ADH1B (0.44) ADH1BADH1AADH1CKDM4ELMNA
SCHEMBL15833571 0.77 L3MBTL1 (0.34) L3MBTL1LMNATSHRNPY1RNPY2R
SCHEMBL1002824 0.76
SCHEMBL23766640 0.75 ADH1B (0.52) ADH1BADH1AADH1CKDM4EADH7
SCHEMBL15833515 0.74 L3MBTL1 (0.40) L3MBTL1KDM4ELMNAABCB1TSHR
SCHEMBL5878360 0.72 KDM4E (0.61) ADH1BADH1AADH1CKDM4ELMNA
SCHEMBL10800825 0.72 L3MBTL1 (0.39) L3MBTL1LMNATSHRBCL2NPY1R
SCHEMBL1147342 0.72 TSHR (0.44) L3MBTL1LMNAABCB1TSHRNPY1R

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 6 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 claimed
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 ADH1B 2513/4885ADH1A 1557/4885ADH1C 1623/4885
US-20030100555-A1 Prodrugs of a 3-(pyrrol-2-ylmethylidene)-2-indolinone derivatives PLK2, CDK2, PDPK1 ADH1B 2513/4885ADH1A 1557/4885ADH1C 1623/4885

“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.