SCHEMBL8609618

SCHEMBL8609618

CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.71
CDK4 P11802 5/20 0.67
CCND1 P24385 5/20 0.67
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TRPV1 Q8NER1 1/20 0.57
ACHE P22303 2/20 0.56
BCHE P06276 1/20 0.56
SSTR3 P32745 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAPT P10636 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
HSD17B10 Q99714 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
SCHEMBL19789867 1.00 SIRT1 (0.71) SIRT1CDK4CCND1NPC1RAB9A
SCHEMBL761706 0.79 MEN1 (0.75) SIRT1NPC1RAB9AMEN1KMT2A
SCHEMBL17037428 0.78 MEN1 (0.70) SIRT1NPC1RAB9AMEN1KMT2A
SCHEMBL5459439 0.77 SIRT1 (0.61) SIRT1CDK4CCND1NPC1RAB9A
SCHEMBL5459435 0.77 SIRT1 (0.61) SIRT1CDK4CCND1NPC1RAB9A
SCHEMBL12894877 0.77 GOT1 (0.67) CDK4CCND1NPC1RAB9AMEN1
SCHEMBL18595162 0.75 MEN1 (0.76) SIRT1NPC1RAB9AMEN1KMT2A
SCHEMBL6365945 0.74 MEN1 (0.65) SIRT1NPC1RAB9AMEN1KMT2A
SCHEMBL4331421 0.74 MEN1 (1.00) SIRT1CDK4CCND1NPC1RAB9A
SCHEMBL7677879 0.74 MEN1 (0.67) SIRT1NPC1RAB9AMEN1KMT2A

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
US-20230210849-A1 CADHERIN-11 INHIBITOR FORMULATION AND ITS USES IN IMMUNOTHERAPY GEORGETOWN UNIVERSITY (US) 2023-07-06 US disclosed
US-9889131-B2 Cadherin-11 inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2018-02-13 US disclosed
EP-2393787-B1 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2018-01-24 EP disclosed
US-20170360934-A1 USE OF CADHERIN-11 ANTAGONISTS TO TREAT OBESITY-ASSOCIATED CONDITIONS AND OTHER METABOLIC DISORDERS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2017-12-21 US disclosed
US-20160151363-A1 Cadherin-11 Inhibitors and Methods of Use Thereof GEORGETOWN UNIVERSITY (US) 2016-06-02 US disclosed
US-20150064168-A1 Cadherin-11 Inhibitors and Methods of Use Thereof UNITED STATES GOVERNMENT 2015-03-05 US disclosed
US-8802687-B2 Cadherin-11 inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2014-08-12 US disclosed
US-20120128693-A1 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2012-05-24 US disclosed
WO-2010091384-A2 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2010-08-12 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 (5 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-20150064168-A1 Cadherin-11 Inhibitors and Methods of Use Thereof CDH1, ICAM1, S100A11 SIRT1 2147/4885CDK4 1363/4885CCND1 3379/4885
US-20160151363-A1 Cadherin-11 Inhibitors and Methods of Use Thereof CDH1, ICAM1, S100A11 SIRT1 2147/4885CDK4 1363/4885CCND1 3379/4885
US-20230210849-A1 CADHERIN-11 INHIBITOR FORMULATION AND ITS USES IN IMMUNOTHERAPY CDH1, DSC1, EPCAM SIRT1 1844/4885CDK4 1426/4885CCND1 1417/4885
US-20170360934-A1 USE OF CADHERIN-11 ANTAGONISTS TO TREAT OBESITY-ASSOCIATED CONDITIONS AND OTHER METABOLIC DISORDERS CDH1, GPR119, FABP4 SIRT1 915/4885CDK4 2775/4885CCND1 3790/4885
US-20120128693-A1 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF CDH1, ICAM1, S100A11 SIRT1 2147/4885CDK4 1363/4885CCND1 3379/4885

“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.