SCHEMBL5828126

SCHEMBL5828126

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.63
PTPRCAP Q14761 2/20 0.63
RARB P10826 6/20 0.57
HDAC11 Q96DB2 4/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
RARA P10276 5/20 0.47
RARG P13631 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL5828122 0.89 PTPN11 (0.77) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5828120 0.89 PTPN11 (0.77) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5827656 0.85 PTPN11 (0.56) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5828666 0.85 PTPN11 (0.49) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5828517 0.84 PTPN11 (0.53) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5828556 0.84 HDAC11 (0.57) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5827560 0.82 PTPN11 (0.74) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5827559 0.82 PTPN11 (0.74) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5828564 0.81 PTPN11 (0.85) PTPN11PTPRCAPRARBHDAC11HDAC2
SCHEMBL5828563 0.81 PTPN11 (0.85) PTPN11PTPRCAPRARBHDAC11HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 US claimed
US-7153875-B2 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE SAN DIEGO (US) 2006-12-26 US disclosed
US-20020143182-A1 Heterocyclic derivatives for the treatment of cancer and other proliferative diseases INCYTE GENOMICS, INC. 2002-10-03 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 (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.