SCHEMBL16706089

SCHEMBL16706089

Cc1ccc(C)c2c1NC(C(=O)O)C1CC=CC21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 1.00
PTPN7 P35236 12/20 0.83
HSPA1A P0DMV8 9/20 0.68
POLB P06746 6/20 0.68
GAPDH P04406 6/20 0.68
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
L3MBTL1 Q9Y468 5/20 0.68
KDM4E B2RXH2 4/20 0.68
MAPT P10636 4/20 0.68
HSPA8 P11142 4/20 0.68
RECQL P46063 4/20 0.68
BLM P54132 4/20 0.68
HSD17B10 Q99714 4/20 0.68
NR4A1 P22736 3/20 0.68
ALOX15 P16050 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
ALOX12 P18054 1/20 0.68
DUSP1 P28562 1/20 0.68

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
SCHEMBL13856742 0.81 PTPN7 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL2117400 0.81 PTPN7 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL16706088 0.74 PTPN7 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL13056428 0.74 NR4A1 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL2116061 0.71 PTPN7 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL16325985 0.71 NR4A1 (0.70) TDP1PTPN7HSPA1APOLBMEN1
SCHEMBL16706090 0.71 MEN1 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL13856208 0.71 NR4A1 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL14680373 0.70 PTPN7 (1.00) TDP1PTPN7HSPA1APOLBGAPDH
SCHEMBL2116528 0.70 PTPN7 (1.00) TDP1PTPN7HSPA1APOLBGAPDH

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-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 TDP1 1880/4885PTPN7 161/4885HSPA1A 1541/4885
US-20200093832-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 TDP1 2798/4885PTPN7 589/4885HSPA1A 976/4885
US-20180153934-A1 ARSENIC TRIOXIDE FOR TREATMENT OF PIN1-ASSOCIATED DISORDERS PIN1, AS3MT, PML TDP1 1880/4885PTPN7 161/4885HSPA1A 1541/4885
US-20150133442-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 TDP1 2798/4885PTPN7 589/4885HSPA1A 976/4885
US-20170304310-A1 METHODS AND COMPOSITIONS FOR THE INHIBITION OF PIN1 PIN1, FKBP1A, FKBP2 TDP1 2798/4885PTPN7 589/4885HSPA1A 976/4885
US-11129835-B2 Methods and compositions for the inhibition of PIN1 PIN1, FKBP1A, FKBP2 TDP1 2798/4885PTPN7 589/4885HSPA1A 976/4885
US-10413548-B2 Methods and compositions for the inhibition of Pin1 PIN1, FKBP1A, FKBP2 TDP1 2798/4885PTPN7 589/4885HSPA1A 976/4885

“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.