SCHEMBL6857593

SCHEMBL6857593

CCC(=O)NC(CC(=O)O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.56
ITGB3 P05106 5/20 0.52
ITGA2B P08514 5/20 0.52
ALDH1A1 P00352 3/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP26A1 O43174 1/20 0.49
HTT P42858 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
MAPT P10636 1/20 0.47
ITGAV P06756 1/20 0.47
ITGB5 P18084 1/20 0.47
ITGB6 P18564 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL28784050 0.90 SMN1; SMN2 (0.59) SMN1; SMN2LMNAPOLBITGB3ITGA2B
SCHEMBL686783 0.90 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBITGB3ITGA2B
SCHEMBL9829245 0.88 SMN1; SMN2 (0.60) SMN1; SMN2LMNAPOLBITGB3ITGA2B
SCHEMBL14701528 0.87 ALDH1A1 (0.59) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL14535420 0.87 ALDH1A1 (0.59) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL6859171 0.86 SMN1; SMN2 (0.54) SMN1; SMN2LMNAPOLBITGB3ITGA2B
SCHEMBL6857598 0.86 KEAP1 (0.59) SMN1; SMN2LMNAPOLBITGB3ITGA2B
SCHEMBL14224491 0.86 RIPK1 (0.62) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL14224547 0.86 RIPK1 (0.62) SMN1; SMN2LMNAPOLBALDH1A1HTT
SCHEMBL9829985 0.85 SMN1; SMN2 (0.57) SMN1; SMN2ITGB3ITGA2BALDH1A1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669538-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2020-06-02 US disclosed
US-20170198283-A1 TEMPLATED MOLECULES AND METHODS FOR USING SUCH MOLECULES NUEVOLUTION A/S (DK) 2017-07-13 US disclosed
US-9688980-B2 Templated molecules and methods for using such molecules NUEVOLUTION (DK) 2017-06-27 US disclosed
EP-2534138-B1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2017-01-25 EP disclosed
EP-2305808-B1 Templated molecules and methods for using such molecules NUEVOLUTION AS (DK) 2016-03-02 EP disclosed
US-8932992-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2015-01-13 US disclosed
US-8809338-B2 1,2,3-triazole-based peptidomimetic integrin inhibitors for the diagnosis and therapy of tumors UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2014-08-19 US disclosed
WO-2011098603-A1 1,2,3-TRIAZOLE-BASED PEPTIDOMIMETIC INTEGRIN INHIBITORS FOR THE DIAGNOSIS AND THERAPY OF TUMORS UNIVERSITA' DEGLI STUDI DI FIRENZE (IT) 2011-08-18 WO disclosed
CN-1928102-B Resolution method of beta-amino acid ASTATECH CHENGDU PHARMACEUTIACL CO LTD 2011-08-10 CN disclosed
US-7727713-B2 Templated molecules and methods for using such molecules NUEVOLUTION A/S (DK) 2010-06-01 US disclosed
CN-1928102-A Resolution method of beta-amino acid ASTATECH CHENGDU PHARMACEUTIAC (CN) 2007-03-14 CN 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 (1 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-10669538-B2 Templated molecules and methods for using such molecules ABL1, DHFR, TYMS SMN1; SMN2 3782/4885LMNA 2667/4885POLB 106/4885

“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.