Sugi Predict

Sugi Predict / Compounds / SCHEMBL4097608

SCHEMBL4097608

SCHEMBL4097608

Nc1ccccc1O[PH](=O)Oc1ccccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.50
▸ ADRA2B P18089 1/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ CRHR2 Q13324 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ GAA P10253 3/20 0.39
▸ RCE1 Q9Y256 1/20 0.39

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
SCHEMBL28098932 0.87 ALDH1A1 (0.54) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL4097610 0.82 ALDH1A1 (0.46) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL28353458 0.77 ALDH1A1 (0.52) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL11038957 0.74 IDO1 (0.57) ALDH1A1TDP1KDM4EMAPTCRHBP
SCHEMBL28351226 0.71 CA1 (0.62) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL29090858 0.71 ALDH1A1 (0.50) ALDH1A1ADRA2BPTGS1TDP1KDM4E
SCHEMBL3363979 0.71 RAB9A (0.41) ALDH1A1ADRA2BKDM4ESMN1; SMN2LMNA
SCHEMBL16670834 0.71 CA2 (0.50) ALDH1A1TDP1KDM4EMAPTSMN1; SMN2
SCHEMBL8953425 0.71 LMNA (0.47) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL3281430 0.71 TSHR (0.43) ALDH1A1KDM4ESMN1; SMN2CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105163768-B Antimicrobial aquogel polymer 开尔弗森2200有限公司 2018-04-13 — — CN claimed
CN-105163768-A Antimicrobial hydrogel polymers CAREFUSION 2200 INC 2015-12-16 — — CN claimed
CN-116870016-B Heteroaromatic compound and medical application thereof 希格生科（深圳）有限公司 2024-05-28 — — CN disclosed
CN-117412981-A Phosphine oxide derivative and preparation method and application thereof 希格生科（深圳）有限公司 2024-01-16 — — CN disclosed
CN-116870016-A Heteroaromatic compound and medical application thereof 希格生科（深圳）有限公司 2023-10-13 — — CN disclosed
CN-115785154-A Heteroaromatic ring compounds and medical use thereof 希格生科（深圳）有限公司 2023-03-14 — — CN disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 — — CN disclosed
CN-105163768-B Antimicrobial aquogel polymer 开尔弗森2200有限公司 2018-04-13 — — CN disclosed
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
CN-105163768-A Antimicrobial hydrogel polymers CAREFUSION 2200 INC 2015-12-16 — — CN disclosed
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY CANNIZZARO CARINA 2009-09-10 — — US disclosed
US-7470724-B2 Phosphonate compounds having immuno-modulatory activity GILEAD SCIENCES, INC. (US) 2008-12-30 — — US disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 — — US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 — — US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 — — EP 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
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 (4 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 4028/4885ADRA2B 3208/4885PTGS1 993/4885
US-20090227543-A1 PHOSPHONATE COMPOUNDS HAVING IMMUNO-MODULATORY ACTIVITY PHOSPHO1, NFATC1, IFNG ALDH1A1 4028/4885ADRA2B 3208/4885PTGS1 993/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES ALDH1A1 3467/4885ADRA2B 3071/4885PTGS1 6/4885
US-20160250866-A1 IMAGE RECORDING PAPER MEDIUM AND IMAGE RECORDING METHOD PHOSPHO1, ITPR2, PPIP5K2 ALDH1A1 4176/4885ADRA2B 2494/4885PTGS1 1121/4885

“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.