SCHEMBL5021039

SCHEMBL5021039

CCOP(=O)(OCC)C(F)(F)c1cc2nc(OC)ccc2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 15/20 0.49
PTPN2 P17706 4/20 0.36
PTPRC P08575 2/20 0.36
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL5021037 0.88 PTPN1 (0.46) PTPN1PTPN2PTPRC
SCHEMBL2694093 0.86 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL5021035 0.83 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL2694549 0.83 PTPN1 (0.57) PTPN1PTPN2PTPRC
SCHEMBL2690743 0.83 PTPN1 (0.50) PTPN1PTPN2PTPRC
SCHEMBL2691349 0.83 PTPN1 (0.57) PTPN1PTPN2PTPRC
SCHEMBL2692839 0.82 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL5020999 0.82 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL2693463 0.81 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL5020990 0.80 PTPN1 (0.51) PTPN1PTPN2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334295-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2016-05-10 US disclosed
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2015-02-12 US disclosed
US-8927526-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2015-01-06 US disclosed
US-20130281365-A1 FUSED AROMATIC PTP-1B INHIBITORS MERCK FROSST CANADA LTD. (CA) 2013-10-24 US disclosed
US-8481742-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2013-07-09 US disclosed
US-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS KANEQ PHARMA INC. (CA) 2012-07-12 US disclosed
US-8168815-B2 Fused aromatic PTP-1B inhibitors KANEQ PHARMA INC. (CA) 2012-05-01 US disclosed
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS KANEQ PHARMA INC. (CA) 2010-01-28 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 (4 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-20120178679-A1 FUSED AROMATIC PTP-IB INHIBITORS PTPRF, PTPRJ, PTPRCAP PTPN1 15/4885PTPN2 23/4885PTPRC 7/4885
US-20150045325-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP PTPN1 14/4885PTPN2 22/4885PTPRC 8/4885
US-20130281365-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP PTPN1 14/4885PTPN2 22/4885PTPRC 8/4885
US-20100022477-A1 FUSED AROMATIC PTP-1B INHIBITORS PTPRJ, PTPRF, PTPRCAP PTPN1 14/4885PTPN2 22/4885PTPRC 8/4885

“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.