SCHEMBL12696337

SCHEMBL12696337

CC(C)Cc1ccc(OCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.52
HDAC8 Q9BY41 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
PSMB5 P28074 1/20 0.43
MAPT P10636 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
CXCR1 P25024 2/20 0.41
CXCR2 P25025 2/20 0.41
ALB P02768 1/20 0.41

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
SCHEMBL13141375 0.88 PTPN1 (0.50) PTPN1HDAC8PSEN1PSEN2APH1B
SCHEMBL7099897 0.87 PTPN1 (0.52) PTPN1HDAC8PSEN1PSEN2APH1B
SCHEMBL12042755 0.87 PTPN1 (0.52) PTPN1HDAC8PSEN1PSEN2APH1B
SCHEMBL196829 0.85 PTPN1 (0.53) PTPN1HDAC8PSEN1PSEN2APH1B
SCHEMBL29261079 0.84 MAPT (0.46) PSMB5MAPTPTGS1PTGS2LMNA
SCHEMBL198467 0.84 PTPN1 (0.60) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL17067416 0.84 PTPN1 (0.47) PTPN1HDAC8PSEN1PSEN2APH1B
SCHEMBL16355748 0.83 PTPN1 (0.48) PTPN1HDAC8PSEN1PSEN2APH1B
SCHEMBL7454762 0.83 ITGB3 (0.54) PTPN1HDAC8ITGB3ITGA2BPTGS1
SCHEMBL22256342 0.83 ITGB3 (0.54) PTPN1HDAC8ITGB3ITGA2BPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2020-05-26 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-08-02 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-9878999-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-01-30 US disclosed
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-03-13 US disclosed
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-03-13 US disclosed
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-03-13 US disclosed
WO-2012129564-A2 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2012-09-27 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-10662180-B2 Proteasome chymotrypsin-like inhibition using PI-1833 analogs PSMB3, PSME3, PSMD3 PTPN1 3693/4885HDAC8 406/4885PSEN1 743/4885
US-20140073650-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 PTPN1 3693/4885HDAC8 406/4885PSEN1 743/4885
US-20180215742-A1 PROTEASOME CHYMOTRYPSIN-LIKE INHIBITION USING PI-1833 ANALOGS PSMB3, PSME3, PSMD3 PTPN1 3693/4885HDAC8 406/4885PSEN1 743/4885

“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.