Sugi Predict

Sugi Predict / Compounds / SCHEMBL2898698

SCHEMBL2898698

SCHEMBL2898698

CC(C)n1c(=O)c(O)c2n(c1=O)C(CCN(C)Cc1ccccc1)CN(Cc1ccc(F)cc1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ TSHR P16473 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HMGCR P04035 1/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ S1PR1 P21453 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
Trifluoroacetic Acid SCHEMBL2891881 0.95 KMT2A (0.40) KMT2AMEN1TSHRHTTALDH1A1
SCHEMBL13085834 0.89 TP53 (0.35) HTTALDH1A1HMGCRGAAKDM4E
SCHEMBL2900174 0.88 KMT2A (0.38) KMT2AMEN1TSHRHTTALDH1A1
SCHEMBL2900634 0.87 ACHE (0.40) KMT2AHTTCYP2D6HMGCR
SCHEMBL13094381 0.86 HTT (0.31) HTT
SCHEMBL2893707 0.86 KMT2A (0.38) KMT2AMEN1TSHRHTTALDH1A1
SCHEMBL2892030 0.86 P2RX3 (0.33) KMT2AMEN1HTTALDH1A1HMGCR
SCHEMBL13094093 0.86 HTT (0.35) KMT2AHTTALDH1A1HMGCR
SCHEMBL2891360 0.85 ACHE (0.34) KMT2AMEN1HTTHMGCRL3MBTL1
SCHEMBL4230594 0.85 KMT2A (0.37) KMT2AMEN1TSHRHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 — — US claimed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 — — US claimed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 — — US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 — — US disclosed
US-7820680-B2 HIV integrase inhibitors MERCK & CO., INC. (US) 2010-10-26 — — US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 — — US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 — — US disclosed
US-20080009490-A1 Hiv Integrase Inhibitors MERCK SHARP & DOHME CORP. 2008-01-10 — — 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-20080009490-A1 Hiv Integrase Inhibitors TYMS, UNG, TYMP KMT2A 1314/4885MEN1 4641/4885TSHR 4386/4885

“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.