SCHEMBL6788655

SCHEMBL6788655

CCC(O)(CC(=O)OC)c1ccnc(F)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
BRD4 O60885 1/20 0.31
AR P10275 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
SCHEMBL6787926 0.81 KDM4E (0.32) ALDH1A1SMN1; SMN2AR
SCHEMBL6788379 0.80 TSHR (0.34) ALDH1A1SMN1; SMN2MAPTAR
SCHEMBL6785783 0.76 ABL1 (0.30)
SCHEMBL7460345 0.73 TSHR (0.35) ALDH1A1SMN1; SMN2
SCHEMBL7463770 0.68 POLB (0.37) ALDH1A1SMN1; SMN2MAPT
SCHEMBL28291726 0.67 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2MAPT
SCHEMBL7454862 0.67 SLC13A5 (0.30)
SCHEMBL7468653 0.65
SCHEMBL6786070 0.65 BRD4 (0.36) ALDH1A1SMN1; SMN2BRD4AR
SCHEMBL6785950 0.64 NUDT1 (0.36) ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699876-B2 FOR CANCER THERAPY LES LABORATOIRES SERVIER (FR) 2004-03-02 US disclosed
US-20030105109-A1 For cancer therapy LES LABORATOIRES SERVIER (FR) 2003-06-05 US disclosed
US-6509345-B2 For therapy of cancerous diseases LES LABORATOIRES SERVIER (FR) 2003-01-21 US disclosed
US-20020077325-A1 New camptothecin analogue compounds LAVIELLE GILBERT (FR) 2002-06-20 US 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-20030105109-A1 For cancer therapy OXER1, OXGR1, CBR1 ALDH1A1 571/4885SMN1; SMN2 3240/4885MAPT 4776/4885
US-20020077325-A1 New camptothecin analogue compounds OXER1, CBR3, CBR1 ALDH1A1 1458/4885SMN1; SMN2 4239/4885MAPT 4724/4885

“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.