Sugi Predict

Sugi Predict / Compounds / SCHEMBL7752458

SCHEMBL7752458

SCHEMBL7752458

[C-]#[N+]C(CC(C)=O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.34
▸ ALOX15 P16050 2/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ MGAM O43451 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SI P14410 1/20 0.33
▸ MGAM2 Q2M2H8 1/20 0.33
▸ SOAT1 P35610 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ GLO1 Q04760 1/20 0.31
▸ TRPA1 O75762 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL12869633 0.74 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL4751282 0.73 L3MBTL1 (0.49) ALDH1A1LMNAHSD17B10KMT2AMGAM
SCHEMBL11876330 0.72 METAP2 (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL2097011 0.72 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL5936778 0.72 MEN1 (0.50) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL7751199 0.71 CYP3A4 (0.33) ALDH1A1LMNAHSD17B10KMT2AGAA
SCHEMBL536496 0.70 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL2206905 0.70 — —
SCHEMBL19270620 0.70 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A
SCHEMBL2316481 0.70 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors OSI PHARMACEUTICALS, INC. 2009-07-30 — — US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 — — US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 — — US disclosed
US-7429574-B2 4-heterocyclo-pyrrolo[2,3d] pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. (US) 2008-09-30 — — US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 — — 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-20090192177-A1 2-ARYL pyrrologpyrimidines for A1 and A3 receptors ADORA3, ADORA1, ADORA2A ALDH1A1 265/4885LMNA 2896/4885HSD17B10 3240/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ALDH1A1 1671/4885LMNA 4260/4885HSD17B10 3967/4885

“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.