Sugi Predict

Sugi Predict / Compounds / SCHEMBL1639019

SCHEMBL1639019

SCHEMBL1639019

CCOc1nc2cccc(C(=O)OC(C)OC(=O)OC3CCCCC3)c2n1Cc1ccc(-c2ccccc2C)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAE1 Q13564 4/20 0.78
▸ AGTR2 P50052 3/20 0.78
▸ CYP3A4 P08684 2/20 0.78
▸ ADORA3 P0DMS8 2/20 0.78
▸ ADRA2B P18089 2/20 0.78
▸ SLC6A2 P23975 2/20 0.78
▸ AGTR1 P30556 2/20 0.78
▸ PPARG P37231 2/20 0.78
▸ HTR2B P41595 2/20 0.78
▸ PDE3A Q14432 2/20 0.78
▸ KDM4E B2RXH2 1/20 0.78
▸ MEN1 O00255 1/20 0.78
▸ MLNR O43193 1/20 0.78
▸ NR1I2 O75469 1/20 0.78
▸ USP2 O75604 1/20 0.78
▸ ESR1 P03372 1/20 0.78
▸ NR3C1 P04150 1/20 0.78
▸ TP53 P04637 1/20 0.78
▸ PGR P06401 1/20 0.78
▸ ADRB2 P07550 1/20 0.78

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
SCHEMBL30007290 0.90 NAE1 (0.74) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL1020471 0.90 NAE1 (0.74) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL21116097 0.90 NAE1 (0.74) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL30007325 0.89 NAE1 (0.75) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL14522914 0.89 NAE1 (0.75) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL987184 0.89 AGTR1 (0.72) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL15478919 0.89 NAE1 (0.74) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL6850571 0.89 NAE1 (0.74) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL24819609 0.88 AGTR1 (0.72) NAE1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL469652 0.88 NAE1 (0.76) NAE1AGTR2CYP3A4ADORA3ADRA2B

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-20120088936-A1 METHOD FOR SYNTHESIZING COMPOUND AND CATALYST FOR SYNTHESIS REACTION DAIHATSU MOTOR CO., LTD. (JP) 2012-04-12 — — US disclosed
US-8008526-B2 Synthesis reaction catalyst and method of synthesizing compound using the same NITTO DENKO CORPORATION (JP) 2011-08-30 — — US disclosed
US-7592473-B2 Method of synthesizing compound DAIHATSU MOTOR CO., LTD. (JP) 2009-09-22 — — US disclosed
US-20090023943-A1 Synthesis Reaction Catalyst and Method of Synthesizing Compound Using the Same DAIHATSU MOTOR CO., LTD (JP) 2009-01-22 — — US disclosed
US-7411082-B2 Synthesizing method for compound, and catalyst for synthesis reaction CAMBRIDGE UNIVERSITY TECHNICAL SERVICES LTD. (GB) 2008-08-12 — — US disclosed
US-20080177112-A1 Method of Synthesizing Compound DAIHATSU MOTOR CO., LTD. (JP) 2008-07-24 — — 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 (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-20080177112-A1 Method of Synthesizing Compound ADH1C, ADH1A, TPO NAE1 2000/4885AGTR2 790/4885CYP3A4 614/4885
US-20090023943-A1 Synthesis Reaction Catalyst and Method of Synthesizing Compound Using the Same FTO, TET2, EZH2 NAE1 1799/4885AGTR2 1255/4885CYP3A4 552/4885
US-20120088936-A1 METHOD FOR SYNTHESIZING COMPOUND AND CATALYST FOR SYNTHESIS REACTION SCO2, YBX1, DUOX1 NAE1 759/4885AGTR2 4049/4885CYP3A4 2341/4885

“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.