Sugi Predict

Sugi Predict / Compounds / SCHEMBL6308181

SCHEMBL6308181

SCHEMBL6308181

CCN(C(=O)c1ccc(I)cc1)[C@@](CC)(CCC(=O)O)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MLYCD O95822 1/20 0.33
▸ KYAT1 Q16773 1/20 0.32
▸ CFTR P13569 1/20 0.32
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ L3MBTL1 Q9Y468 2/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ESR2 Q92731 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CA1 P00915 1/20 0.30

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
SCHEMBL6311889 0.87 ALDH1A1 (0.36) ALDH1A1HPGDMAPTMEN1CYP1A2
SCHEMBL10965940 0.86 ALDH1A1 (0.38) ALDH1A1HPGDMAPTMEN1CYP1A2
SCHEMBL9539333 0.85 CES2 (0.37) ALDH1A1HPGDMAPTMEN1CYP1A2
SCHEMBL6648900 0.85 HPGD (0.34) ALDH1A1HPGDMAPTMEN1CYP1A2
SCHEMBL10758621 0.83 L3MBTL1 (0.38) ALDH1A1MEN1CYP1A2THRBKMT2A
SCHEMBL9556353 0.79 LMNA (0.43) ALDH1A1MAPTMEN1KMT2AMLYCD
SCHEMBL10828836 0.79 OPRD1 (0.33) HPGD
SCHEMBL7666244 0.78 — —
SCHEMBL11712059 0.74 HPGD (0.43) HPGDLMNACA1CA2
SCHEMBL6655035 0.73 MEN1 (0.37) ALDH1A1MEN1CYP1A2THRBKMT2A

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-6962920-B2 Pyrimidine derivatives and methods of making and using these derivatives DUQUESNE UNIVERSITY OF THE HOLY GHOST (US) 2005-11-08 — — US disclosed
US-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2004-02-26 — — US disclosed
US-6537999-B2 Furopyrimidines and pyrrolopyrimidines; treating cancer, and secondary infections caused by Pneumocystis carinii and Toxoplasmosis gondii in immunocompromised patients. DUQUESNE UNIVERSITY OF THE HOLY GHOST 2003-03-25 — — US disclosed
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives GANGJEE ALEEM (US) 2002-05-02 — — 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-20040039000-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD TPMT 7/4885ALDH1A1 1172/4885HPGD 172/4885
US-20020052384-A1 Novel pyrimidine derivatives and methods of making and using these derivatives TYMP, TYMS, DPYD TPMT 7/4885ALDH1A1 1172/4885HPGD 172/4885

“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.