SCHEMBL6870221

SCHEMBL6870221

CON(Cc1ccc(F)cc1F)C(=O)/C=C(\O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.42
TAS2R14 Q9NYV8 1/20 0.40
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 3/20 0.38
MAOB P27338 1/20 0.38
GSK3B P49841 2/20 0.37
BACE1 P56817 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTR2A P28223 4/20 0.35
IDO1 P14902 2/20 0.35
AGXT P21549 2/20 0.35
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL6870223 1.00 RIPK1 (0.42) RIPK1TAS2R14SLC6A2SLC6A4SLC6A3
SCHEMBL6078402 0.90 RIPK1 (0.41) RIPK1TAS2R14SLC6A2SLC6A4SLC6A3
SCHEMBL6077626 0.90 RIPK1 (0.41) RIPK1TAS2R14SLC6A2SLC6A4SLC6A3
SCHEMBL6870326 0.88 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL6870321 0.88 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E
SCHEMBL6877631 0.84 ALDH1A1 (0.48) RIPK1TAS2R14SLC6A2SLC6A3ALDH1A1
SCHEMBL6877629 0.84 ALDH1A1 (0.48) RIPK1TAS2R14SLC6A2SLC6A3ALDH1A1
SCHEMBL3682001 0.81 TDP1 (0.39) RIPK1TAS2R14ALDH1A1TDP1
SCHEMBL3681999 0.81 TDP1 (0.39) RIPK1TAS2R14ALDH1A1TDP1
SCHEMBL5797871 0.81 TDP1 (0.39) RIPK1TAS2R14ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777440-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-08-17 US disclosed
US-20030176495-A1 HIV Integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-09-18 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 (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-20030176495-A1 HIV Integrase inhibitors MAPT, RIF1, HPRT1 RIPK1 1438/4885TAS2R14 4569/4885SLC6A2 575/4885

“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.