SCHEMBL6412980

SCHEMBL6412980

O=C(O)/C(O)=C/C(=O)N(Cc1ccc(F)cc1)Cc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCL2A1 Q16548 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CTBP2 P56545 1/20 0.41
SNCA P37840 1/20 0.40
RIPK1 Q13546 2/20 0.40
NSD2 O96028 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.39

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
SCHEMBL6412983 1.00 TDP1 (0.42) TDP1L3MBTL1BCL2A1ALDH1A1SMN1; SMN2
SCHEMBL6417941 0.92 ALDH1A1 (0.50) TDP1ALDH1A1RIPK1
SCHEMBL6413732 0.92 BCL2A1 (0.53) BCL2A1ALDH1A1
SCHEMBL6413735 0.92 BCL2A1 (0.53) BCL2A1ALDH1A1
SCHEMBL6417939 0.92 ALDH1A1 (0.50) TDP1ALDH1A1RIPK1
SCHEMBL6416897 0.90 PTPN1 (0.43) TDP1L3MBTL1BCL2A1ALDH1A1SMN1; SMN2
SCHEMBL6416892 0.90 PTPN1 (0.43) TDP1L3MBTL1BCL2A1ALDH1A1SMN1; SMN2
SCHEMBL6421244 0.87 SNCA (0.42) TDP1L3MBTL1ALDH1A1SNCARIPK1
SCHEMBL6421246 0.87 SNCA (0.42) TDP1L3MBTL1ALDH1A1SNCARIPK1
SCHEMBL6413348 0.86 HDAC1 (0.42) TDP1L3MBTL1SMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050043370-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2005-02-24 US disclosed
US-6803378-B2 FOR THERAPY AND PROPHYLAXIS OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS), OR ARC BRISTOL-MYERS SQUIBB COMPANY 2004-10-12 US disclosed
US-20030181490-A1 HIV integrase inhibitors WALKER MICHAEL A (US) 2003-09-25 US disclosed
EP-1322599-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-02 EP disclosed
US-20030027847-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-02-06 US disclosed
WO-2001096283-A9 HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2002-10-17 WO disclosed
WO-2001096283-A2 HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-12-20 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 (3 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-20050043370-A1 HIV integrase inhibitors AKR1C3, CBR3, CBR1 TDP1 1762/4885L3MBTL1 826/4885BCL2A1 1220/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TDP1 863/4885L3MBTL1 649/4885BCL2A1 1202/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 TDP1 863/4885L3MBTL1 649/4885BCL2A1 1202/4885

“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.