Sugi Predict

Sugi Predict / Compounds / SCHEMBL9908306

SCHEMBL9908306

SCHEMBL9908306

COc1ccccc1-c1c(P(C(C)(C)C)C(C)(C)C)nnn1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ ATM Q13315 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KCNN4 O15554 4/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ FGFR1 P11362 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ PRNP P04156 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ NCOA2 Q15596 1/20 0.37
▸ NCOA1 Q15788 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL13325762 0.87 FGFR1 (0.40) DHODHIDO1TDO2ATMKMT2A
SCHEMBL13325757 0.80 IDO1 (0.39) DHODHIDO1TDO2KMT2AMEN1
SCHEMBL13325993 0.80 IDO1 (0.42) DHODHIDO1TDO2ALDH1A1HPGD
SCHEMBL13325724 0.79 NPC1 (0.41) DHODHIDO1TDO2KMT2AMEN1
SCHEMBL13325640 0.78 ALDH1A1 (0.48) DHODHIDO1TDO2ATMKMT2A
SCHEMBL13325755 0.77 HPGD (0.39) DHODHIDO1TDO2ATMKMT2A
SCHEMBL31268510 0.67 MPO (0.60) KMT2AMEN1ALDH1A1FGFR1KDM4E
SCHEMBL13325643 0.67 FGFR1 (0.46) DHODHATMKMT2AMEN1ALDH1A1
SCHEMBL1672627 0.65 APP (0.44) KMT2AMEN1ALDH1A1KDM4ELMNA
SCHEMBL21331786 0.65 APP (0.44) ALDH1A1HPGDSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2012-06-07 — — US disclosed
US-7709655-B2 Clickphosphines for transition metal-catalyzed reactions THE PENN STATE RESEARCH FOUNDATION (US) 2010-05-04 — — US disclosed
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-04-19 — — 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-20120142937-A1 METHOD FOR COUPLING HALOGEN-SUBSTITUTED AROMATIC COMPOUNDS WITH ORGANIC COMPOUNDS COMPRISING TRIALKYLSILYL-SUBSTITUTED HETEROATOMS TYR, ALK, TTL DHODH 1599/4885IDO1 1652/4885TDO2 121/4885
US-20070088166-A1 Clickphosphines for transition metal-catalyzed reactions WEE1, WEE2, ITK DHODH 1933/4885IDO1 2304/4885TDO2 2237/4885

“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.