SCHEMBL16706087

SCHEMBL16706087

O=C(O)C1Nc2ccc(Br)cc2C2C=CCC12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN7 P35236 12/20 1.00
▸ HSPA1A P0DMV8 11/20 1.00
▸ POLB P06746 7/20 1.00
▸ KMT2A Q03164 7/20 1.00
▸ GAPDH P04406 7/20 1.00
▸ MEN1 O00255 6/20 1.00
▸ BLM P54132 4/20 1.00
▸ TDP1 Q9NUW8 3/20 1.00
▸ PLA2G1B P04054 1/20 1.00
▸ MIF P14174 1/20 1.00
▸ ATG4B Q9Y4P1 1/20 1.00
▸ ALDH1A1 P00352 4/20 0.73
▸ L3MBTL1 Q9Y468 4/20 0.73
▸ MASP2 O00187 3/20 0.73
▸ MAPT P10636 3/20 0.73
▸ HPGD P15428 3/20 0.73
▸ ALOX15 P16050 3/20 0.73
▸ BRCA1 P38398 3/20 0.73
▸ RECQL P46063 3/20 0.73
▸ HSD17B10 Q99714 3/20 0.73

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
SCHEMBL13186581 0.84 PTPN7 (0.73) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL2808722 0.84 PTPN7 (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL29415450 0.84 PTPN7 (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL2116528 0.84 PTPN7 (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL3610631 0.84 CDC25B (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL31492743 0.83 PTPN7 (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL26098723 0.83 PTPN7 (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL16706084 0.82 POLB (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL29954899 0.82 POLB (1.00) PTPN7HSPA1APOLBKMT2AGAPDH
SCHEMBL13725129 0.79 PTPN7 (1.00) PTPN7HSPA1APOLBKMT2AGAPDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021209689-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING SWEET POTATO AGAINST SWEET POTATO PATHOGENIC VIRUSES HELSINGIN YLIOPISTO (FI) 2021-10-21 — — WO disclosed
US-11129835-B2 Methods and compositions for the inhibition of PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-09-28 — — US disclosed
US-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2021-04-20 — — US disclosed
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2020-03-26 — — US disclosed
US-10413548-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2019-09-17 — — US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 — — US disclosed
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-07 — — US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 — — US disclosed
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-10-26 — — US disclosed
US-9730941-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-08-15 — — US disclosed
US-9730941-B2 Methods and compositions for the inhibition of Pin1 BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-08-15 — — US disclosed
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 — — US disclosed
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-05-14 — — US 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 (7 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-10980835-B2 Arsenic trioxide for treatment of PIN1-associated disorders PIN1, AS3MT, PML PTPN7 161/4885HSPA1A 1541/4885POLB 2449/4885
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 PTPN7 589/4885HSPA1A 976/4885POLB 1852/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML PTPN7 161/4885HSPA1A 1541/4885POLB 2449/4885
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 PTPN7 589/4885HSPA1A 976/4885POLB 1852/4885
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 PTPN7 589/4885HSPA1A 976/4885POLB 1852/4885
US-11129835-B2 Methods and compositions for the inhibition of PIN1 PIN1, FKBP1A, FKBP2 PTPN7 589/4885HSPA1A 976/4885POLB 1852/4885
US-10413548-B2 Methods and compositions for the inhibition of Pin1 PIN1, FKBP1A, FKBP2 PTPN7 589/4885HSPA1A 976/4885POLB 1852/4885

“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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