SCHEMBL1428029

SCHEMBL1428029

COC(=O)C(Br)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
PTGS2 P35354 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
SLC6A3 Q01959 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
USP2 O75604 1/20 0.42
ACP3 P15309 1/20 0.42

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
SCHEMBL68152 0.89 KMT2A (0.64) KMT2APTGS2CES2CES1ALDH1A1
SCHEMBL318731 0.89 KMT2A (0.64) KMT2APTGS2CES2CES1ALDH1A1
SCHEMBL319987 0.89 KMT2A (0.64) KMT2APTGS2CES2CES1ALDH1A1
SCHEMBL13522785 0.85 KMT2A (0.51) KMT2APTGS2CES2CES1
SCHEMBL1565875 0.83 MAPK1 (0.51) KMT2ACES2CES1ALDH1A1ACACB
SCHEMBL7437238 0.81 PTGS2 (0.61) PTGS2CES2CES1CYP1A2GAA
SCHEMBL7571366 0.80 KMT2A (0.53) KMT2APTGS2ALDH1A1CYP3A4CYP1A2
SCHEMBL7564000 0.80 KMT2A (0.53) KMT2APTGS2ALDH1A1CYP3A4CYP1A2
SCHEMBL4827831 0.80 PTGS2 (0.67) KMT2APTGS2ALDH1A1CYP3A4CYP1A2
SCHEMBL7567588 0.80 KMT2A (0.53) KMT2APTGS2ALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023173618-A1 CYCLIC GD (III) COMPLEX, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 国科温州研究院(温州生物材料与工程研究所) 2023-09-21 WO disclosed
US-9522893-B2 Therapeutic methods and compounds AMPIO PHARMACEUTICALS, INC. (US) 2016-12-20 US disclosed
US-20150051224-A1 THERAPEUTIC METHODS AND COMPOUNDS AMPIO PHARMACEUTICALS, INC. 2015-02-19 US disclosed
US-8871772-B2 Therapeutic methods and compounds AMPIO PHARMACEUTICALS, INC. (US) 2014-10-28 US disclosed
US-8217047-B2 Therapeutic methods and compounds DMI ACQUISITION CORP. (US) 2012-07-10 US disclosed
US-20120157473-A1 THERAPEUTIC METHODS AND COMPOUNDS DMI ACQUISITION CORP. (US) 2012-06-21 US disclosed
EP-2300011-A1 THERAPEUTIC METHODS AND COMPOUNDS DMI Life Sciences, Inc. (US) 2011-03-30 EP disclosed
US-20100105698-A1 Therapeutic Methods and Compounds DMI LIFE SCIENCES, INC. (US) 2010-04-29 US disclosed
WO-2009146320-A1 THERAPEUTIC METHODS AND COMPOUNDS DMI LIFE SCIENCES, INC. (US) 2009-12-03 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-20100105698-A1 Therapeutic Methods and Compounds MMP9, MMP17, MMP1 KMT2A 2053/4885PTGS2 555/4885CES2 2805/4885
US-20120157473-A1 THERAPEUTIC METHODS AND COMPOUNDS MMP9, MMP17, MMP1 KMT2A 2053/4885PTGS2 555/4885CES2 2805/4885
US-20150051224-A1 THERAPEUTIC METHODS AND COMPOUNDS MMP9, MMP17, MMP1 KMT2A 2053/4885PTGS2 555/4885CES2 2805/4885

“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.