SCHEMBL17241046

SCHEMBL17241046

CC(=O)Oc1cc(N(C)C)ccc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.63
▸ ALDH1A1 P00352 7/20 0.56
▸ HPGD P15428 4/20 0.56
▸ HSD17B10 Q99714 3/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ TSHR P16473 4/20 0.54
▸ PTGS1 P23219 2/20 0.54
▸ PTGS2 P35354 2/20 0.54
▸ ESR1 P03372 2/20 0.54
▸ ITGB3 P05106 1/20 0.54
▸ ITGA2B P08514 1/20 0.54
▸ HMGB1 P09429 1/20 0.54
▸ GGT1 P19440 1/20 0.54
▸ BLM P54132 1/20 0.54
▸ NAPRT Q6XQN6 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ CFD P00746 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ CYP1A2 P05177 2/20 0.49

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
SCHEMBL27908567 0.83 LMNA (0.59) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL16719158 0.79 CFD (0.73) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL4613548 0.78 KDM4E (0.81) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL8437912 0.77 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL5603081 0.77 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL8820224 0.77 KDM4E (0.73) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL1317441 0.77 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL22587845 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDCYP2C19TSHR
SCHEMBL7850984 0.76 KMT2A (0.63) KDM4EALDH1A1HPGDCYP2C19USP2
SCHEMBL1618302 0.76 KDM4E (0.47) KDM4EALDH1A1HPGDCYP2C19TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200237801-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES BASED ON BIOMARKER EXPRESSION NOGRA PHARMA LIMITED (IE) 2020-07-30 — — US disclosed
US-10473669-B2 Methods for treating inflammatory bowel disease NOGRA PHARMA LIMITED (IE) 2019-11-12 — — US disclosed
US-20190112608-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES CELGENE CORPORATION 2019-04-18 — — US disclosed
EP-3355896-A2 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES BASED ON BIOMARKER EXPRESSION Nogra Pharma Limited (IE) 2018-08-08 — — EP disclosed
US-20180180630-A1 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE NOGRA PHARMA LIMITED (IE) 2018-06-28 — — US disclosed
EP-3237018-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES Celgene Alpine Investment Company II, LLC (BM) 2017-11-01 — — EP disclosed
WO-2017055611-A9 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES BASED ON BIOMARKER EXPRESSION NOGRA PHARMA LIMITED (IE) 2017-07-27 — — WO disclosed
EP-3140658-A2 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE Nogra Pharma Limited (IE) 2017-03-15 — — EP disclosed
WO-2016105516-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES CELGENE CORPORATION (US) 2016-06-30 — — WO disclosed
WO-2015169966-A2 METHODS FOR TREATING INFLAMMATORY BOWEL DISEASE NOGRA PHARMA LIMITED (IE) 2015-11-12 — — 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 (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-20190112608-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES SMAD3, SMAD2, SOST KDM4E 2900/4885ALDH1A1 4038/4885HPGD 4638/4885
US-20200237801-A1 METHODS OF USING SMAD7 ANTISENSE OLIGONUCLEOTIDES BASED ON BIOMARKER EXPRESSION SMAD3, SMAD2, SOST KDM4E 3645/4885ALDH1A1 3968/4885HPGD 4331/4885

“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.

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