SCHEMBL5828122

SCHEMBL5828122

O=C1NC(=O)C(=Cc2ccc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)cc2)S1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.77
PTPRCAP Q14761 1/20 0.77
RARB P10826 5/20 0.60
HDAC3 O15379 1/20 0.57
HDAC4 P56524 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57
HDAC11 Q96DB2 1/20 0.57
HDAC8 Q9BY41 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
HDAC9 Q9UKV0 1/20 0.57
HDAC5 Q9UQL6 1/20 0.57
CISD1 Q9NZ45 2/20 0.52
GSK3B P49841 4/20 0.51
HPGD P15428 2/20 0.50
AKR1B1 P15121 2/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL5828120 1.00 PTPN11 (0.77) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5827560 0.92 PTPN11 (0.74) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5827559 0.92 PTPN11 (0.74) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5828563 0.91 PTPN11 (0.85) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5828564 0.91 PTPN11 (0.85) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5828126 0.89 PTPN11 (0.63) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5829012 0.88 PTPN11 (0.79) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL6164741 0.88 PTPN11 (1.00) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5827669 0.88 PTPN11 (0.79) PTPN11PTPRCAPRARBHDAC3HDAC4
SCHEMBL5828641 0.88 PTPN11 (0.79) PTPN11PTPRCAPRARBHDAC3HDAC4

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
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP claimed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP claimed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US claimed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 WO claimed
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
EP-1385465-A4 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES INCYTE SAN DIEGO INC (US) 2005-09-07 EP disclosed
EP-1385465-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES Incyte San Diego, Inc. (US) 2004-02-04 EP disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US disclosed
WO-2002072009-A2 HETEROCYCLIC DERIVATIVES FOR THE TREATMENT OF CANCER AND OTHER PROLIFERATIVE DISEASES MAXIA PHARMACEUTICALS, INC. (US) 2002-09-19 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 (1 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-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases CCNY, HRAS, AHR PTPN11 1985/4885PTPRCAP 3488/4885RARB 1465/4885

“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.