SCHEMBL6072863

SCHEMBL6072863

CCOC(=O)C(C(=O)OCC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.50
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PKM P14618 2/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.46
KDM4E B2RXH2 1/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL997304 0.94 ALDH1A1 (0.49) HPDMEN1KMT2APKMALDH1A1
SCHEMBL6072903 0.90 HPD (0.47) HPDMEN1KMT2APKMALDH1A1
SCHEMBL997302 0.90 ALDH1A1 (0.59) HPDMEN1KMT2APKMALDH1A1
SCHEMBL8893024 0.84 HPD (0.46) HPDMEN1KMT2APKMALDH1A1
SCHEMBL12466651 0.83 MAPT (0.53) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL31191230 0.82 ALDH1A1 (0.45) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL8443380 0.81 MAPT (0.54) MEN1KMT2APKMALDH1A1MAPT
SCHEMBL6487852 0.81 ALDH1A1 (0.55) HPDMEN1KMT2APKMALDH1A1
SCHEMBL6487862 0.81 ALDH1A1 (0.55) HPDMEN1KMT2APKMALDH1A1
SCHEMBL15498664 0.80 ALDH1A1 (0.50) KMT2APKMALDH1A1MAPTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4247790-B1 STING ANTAGONISTS AND USES THEREOF REGOR PHARMACEUTICALS INC (US) 2024-10-09 EP disclosed
US-20240002368-A1 STING ANTAGONISTS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2024-01-04 US disclosed
EP-3222606-B1 CARBOXYLIC ACID PREPARATION METHOD ZHEJIANG ZHUJI UNITED CHEMICALS CO LTD (CN) 2019-08-07 EP disclosed
US-10167246-B2 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD (CN) 2019-01-01 US disclosed
US-20170369412-A1 Preparative method for carboxylic acids ZHEJIANG ZHUJI UNITED CHEMICALS CO., LTD 2017-12-28 US disclosed
EP-3222606-A1 CARBOXYLIC ACID PREPARATION METHOD Zhejiang Zhuji United Chemicals Co., Ltd (CN) 2017-09-27 EP disclosed
WO-2006032987-A1 INDOLINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF ARTERIOSCLEROSIS PFIZER PRODUCTS INC. (US) 2006-03-30 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 (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-20170369412-A1 Preparative method for carboxylic acids CBR3, CBR1, QPCT HPD 82/4885MEN1 4673/4885KMT2A 2467/4885
US-20240002368-A1 STING ANTAGONISTS AND USES THEREOF STING1, TBK1, CGAS HPD 4508/4885MEN1 1364/4885KMT2A 4045/4885
US-10167246-B2 Preparative method for carboxylic acids CBR3, CBR1, QPCT HPD 82/4885MEN1 4673/4885KMT2A 2467/4885

“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.