SCHEMBL5862071

SCHEMBL5862071

COc1c(C)c(Cc2ccc(C(=O)N3CCOCC3)c(-c3cccnc3)c2)c(OC)c(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK1 P23458 3/20 0.44
TYK2 P29597 3/20 0.44
JAK3 P52333 3/20 0.44
CYP3A4 P08684 2/20 0.43
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
HTT P42858 2/20 0.42
PLAUR Q03405 1/20 0.42
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL5862129 0.93 HTT (0.44) JAK2JAK1TYK2JAK3CYP3A4
SCHEMBL5859237 0.91 CYP2C9 (0.44) CYP3A4HCRTR1HCRTR2HTTABL1
SCHEMBL5858943 0.84 CYP2C9 (0.46) HTTABL1BCRALDH1A1HPGD
SCHEMBL6097437 0.84 DRD2 (0.41) JAK2JAK1TYK2JAK3CYP3A4
SCHEMBL6095393 0.83 P2RY12 (0.46) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL5859147 0.83 MKNK1 (0.43) HTTKDM4ECYP2C9
SCHEMBL5859988 0.83 CYP46A1 (0.45) JAK2JAK1TYK2JAK3KDM4E
SCHEMBL5859201 0.82 SLC2A1 (0.45) CYP2C9
SCHEMBL5859030 0.82 HTT (0.42) JAK2JAK1TYK2JAK3CYP3A4
SCHEMBL6096592 0.79 HSP90AA1 (0.45) CYP3A4HTTKDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 US disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 EP disclosed
CN-1505603-A Substituted benzoic ac id derivatives exhibiting nf-kappab inhibiting activity ��һ��������ҩ��ʽ���� 2004-06-16 CN disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB JAK2 2766/4885JAK1 4004/4885TYK2 1639/4885

“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.