Sugi Predict

Sugi Predict / Compounds / SCHEMBL1961835

SCHEMBL1961835

SCHEMBL1961835

Nc1cccc(O[PH](=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ CYP3A4 P08684 3/20 0.50
▸ MAOB P27338 2/20 0.48
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ APP P05067 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL9358102 0.86 CYP3A4 (0.46) ALDH1A1CYP3A4MAOBTP53MAPT
SCHEMBL3117307 0.83 ALDH1A1 (0.54) ALDH1A1CYP3A4MAOBTP53MAPT
Aniline SCHEMBL10563727 0.80 TSHR (0.44) ALDH1A1CYP3A4MAOBTP53MAPT
SCHEMBL10063428 0.79 F2 (0.34) ALDH1A1MAPTF2PRSS1PRSS2
SCHEMBL4092933 0.78 CYP3A4 (0.50) ALDH1A1CYP3A4POLBTDP1CA12
SCHEMBL3361606 0.76 KMT2A (0.44) ALDH1A1MAOBMAPTRECQLTSHR
SCHEMBL18037095 0.76 WDR5 (0.47) MAOBTSHRKMT2ASMN1; SMN2LMNA
SCHEMBL30586470 0.76 HPGD (0.42) ALDH1A1MAOBATMMEN1KMT2A
SCHEMBL9965355 0.76 LMNA (0.53) ALDH1A1MAPTPOLBTDP1KMT2A
SCHEMBL28437450 0.76 CES2 (0.50) ALDH1A1CYP3A4MAOBPOLBCA1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9920083-B2 Image recording paper medium and image recording method FUJIFILM CORPORATION (JP) 2018-03-20 — — US disclosed
US-20160250866-A1 IMAGE RECORDING PAPER MEDIUM AND IMAGE RECORDING METHOD FUJIFILM CORPORATION (JP) 2016-09-01 — — US disclosed
EP-2345636-B1 CASR AGONIST AJINOMOTO KK (JP) 2016-03-30 — — EP disclosed
US-8796485-B2 CaSR agonists AJINOMOTO CO., INC. (JP) 2014-08-05 — — US disclosed
CN-102448955-B Aminopyrimidine Anticancer Compounds OSI PHARM INC 2014-06-18 — — CN disclosed
CN-102448955-A Aminopyrimidine Anticancer Compounds OSI PHARM INC 2012-05-09 — — CN disclosed
US-20110242197-A1 Magenta Dyes and Inks for Use in Ink-Jet Printing Fujifilm Imaging Colorants, Limited (GB) 2011-10-06 — — US disclosed
WO-2011067382-A1 A LITHOGRAPHIC PRINTING PLATE PRECURSOR AGFA GRAPHICS NV (BE) 2011-06-09 — — WO disclosed
WO-2010070312-A2 MAGENTA DYES AND INKS FOR USE IN INK-JET PRINTING FUJIFILM IMAGING COLORANTS LIMITED (GB) 2010-06-24 — — WO disclosed
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 — — US disclosed
CN-1780630-A Phosphonate compounds having immunomodulatory activity GILEAD SCIENCES INC (US) 2006-05-31 — — CN disclosed
US-20060035866-A1 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. 2006-02-16 — — US disclosed
EP-1620110-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-02-01 — — EP disclosed
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use GILEAD SCIENCES, INC. 2005-12-22 — — US disclosed
WO-2005117904-A2 PHOSPHONATE ANALOGS OF HIV INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-12-15 — — WO disclosed
WO-2005070901-A2 PYRIMIDYL PHOSPHONATE ANTIVIRAL COMPOUNDS AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2005-08-04 — — WO disclosed
US-20050137199-A1 Inhibition of HiV integrase compounds GILEAD SCIENCES, INC. 2005-06-23 — — US disclosed
WO-2005028478-A1 AZA-QUINOLINOL PHOSPHONATE INTEGRASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2005-03-31 — — WO disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 — — WO disclosed
WO-2004096236-A2 IMMUNOMODULATOR PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2004-11-11 — — WO 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 (5 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-20060035866-A1 Phosphonate compounds having immuno-modulatory activity PHOSPHO1, NFATC1, IFNG ALDH1A1 4028/4885CYP3A4 3919/4885MAOB 4303/4885
US-20050137199-A1 Inhibition of HiV integrase compounds CDKL5, CDKL1, CDKL3 ALDH1A1 3574/4885CYP3A4 1387/4885MAOB 2285/4885
US-20050282839-A1 Pyrimidyl phosphonate antiviral compounds and methods of use TYMP, MTAP, PNP ALDH1A1 2933/4885CYP3A4 3229/4885MAOB 2447/4885
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES ALDH1A1 3467/4885CYP3A4 1894/4885MAOB 4618/4885
US-20160250866-A1 IMAGE RECORDING PAPER MEDIUM AND IMAGE RECORDING METHOD PHOSPHO1, ITPR2, PPIP5K2 ALDH1A1 4176/4885CYP3A4 4706/4885MAOB 1345/4885

“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.