SCHEMBL2996551

SCHEMBL2996551

COc1ccc2cc(OCc3ccccc3)c(C(=O)OCc3ccccc3)cc2c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.52
DHODH Q02127 2/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
APP P05067 1/20 0.51
POLB P06746 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MTNR1A P48039 2/20 0.50
MTNR1B P49286 2/20 0.50
FLT3 P36888 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL29376294 1.00 HDAC8 (0.52) HDAC8DHODHMEN1KMT2AAPP
SCHEMBL8204838 0.91 HDAC8 (0.53) HDAC8APPPOLBMTNR1AMTNR1B
SCHEMBL630698 0.91 MEN1 (0.57) MEN1KMT2AHSP90AA1MAOBALDH1A1
SCHEMBL28583731 0.89 MEN1 (0.51) DHODHMEN1KMT2AAPPPOLB
SCHEMBL1646579 0.88 LRRK2 (0.57) HDAC8APPPOLBMTNR1AMTNR1B
SCHEMBL2990559 0.88 KDM4E (0.57) HDAC8APPMTNR1AMTNR1BFLT3
SCHEMBL29375765 0.88 KDM4E (0.57) HDAC8APPMTNR1AMTNR1BFLT3
SCHEMBL13278206 0.88 ALDH1A1 (0.55) MEN1KMT2APOLBHSP90AA1MAOB
SCHEMBL28576913 0.86 TDP1 (0.54) DHODHMEN1KMT2AAPPPOLB
SCHEMBL7947263 0.86 TDP1 (0.51) MEN1KMT2AHSP90AA1MAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2023-01-19 US disclosed
CN-114025844-B Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-07-26 CN disclosed
CN-114025844-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2022-02-08 CN disclosed
EP-3938038-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2022-01-19 EP disclosed
WO-2021127499-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2021-06-24 WO disclosed
CN-112955438-A Protein tyrosine phosphatase inhibitors and methods of use thereof 卡里科生命科学有限责任公司 2021-06-11 CN disclosed
EP-3810580-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Calico Life Sciences LLC (US) 2021-04-28 EP disclosed
US-10954202-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2021-03-23 US disclosed
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF ABBVIE INC. 2021-01-14 US disclosed
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2020-12-01 US disclosed
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-24 US disclosed
WO-2020186199-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-17 WO disclosed
US-20100197744-A1 Organic Compounds BARNES DAVID 2010-08-05 US disclosed
EP-2155704-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS Novartis Ag (CH) 2010-02-24 EP disclosed
WO-2008148744-A1 THIADIAZOLE DERIVATIVES AS ANTIDIABETIC AGENTS NOVARTIS AG (CH) 2008-12-11 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 (6 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-20100197744-A1 Organic Compounds PTPRS, PTPRO, PTPRC HDAC8 1958/4885DHODH 2047/4885MEN1 4409/4885
US-20230019236-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 HDAC8 2066/4885DHODH 1748/4885MEN1 3734/4885
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 HDAC8 2066/4885DHODH 1748/4885MEN1 3734/4885
US-10954202-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 HDAC8 2066/4885DHODH 1748/4885MEN1 3734/4885
US-20210009542-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 HDAC8 2066/4885DHODH 1748/4885MEN1 3734/4885
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 HDAC8 2066/4885DHODH 1748/4885MEN1 3734/4885

“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.