SCHEMBL6412002

SCHEMBL6412002

O=C(O)/C(O)=C/C(=O)N(CCCc1ccccc1)Cc1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.51
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA4 P22748 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
LPAR1 Q92633 4/20 0.44
LPAR5 Q9H1C0 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.42
REN P00797 1/20 0.42

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
SCHEMBL6412006 1.00 CA12 (0.51) CA12CA1CA2CA4L3MBTL1
SCHEMBL6417877 0.94 CA12 (0.46) CA12CA1CA2CA4L3MBTL1
SCHEMBL6417881 0.94 CA12 (0.46) CA12CA1CA2CA4L3MBTL1
SCHEMBL6414009 0.89 LPAR1 (0.53) CA12CA1CA2CA4L3MBTL1
SCHEMBL6414005 0.89 LPAR1 (0.53) CA12CA1CA2CA4L3MBTL1
SCHEMBL6418406 0.87 KDM4E (0.46) CA12CA1CA2CA4L3MBTL1
SCHEMBL6418403 0.87 KDM4E (0.46) CA12CA1CA2CA4L3MBTL1
SCHEMBL6414268 0.87 CA12 (0.49) CA12CA1CA2CA4L3MBTL1
SCHEMBL6414270 0.87 CA12 (0.49) CA12CA1CA2CA4L3MBTL1
SCHEMBL6412983 0.86 TDP1 (0.42) CA12CA1CA2CA4L3MBTL1

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 CA12 4631/4885CA1 4495/4885CA2 3068/4885
US-20030181490-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 CA12 4781/4885CA1 4643/4885CA2 3021/4885
US-20030027847-A1 HIV integrase inhibitors CBR1, CCR5, CCR1 CA12 4781/4885CA1 4643/4885CA2 3021/4885

“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.