SCHEMBL628290

SCHEMBL628290

CC(=O)OCC(C(Cl)Cl)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.39
NPSR1 Q6W5P4 2/20 0.35
EPHX1 P07099 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.33
SLC6A3 Q01959 1/20 0.33
ATM Q13315 2/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
THRB P10828 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7186593 0.77 TP53 (0.45) SHBGNPSR1EPHX1TDP1ALDH1A1
SCHEMBL9786408 0.77 EPHX1 (0.36) SHBGNPSR1EPHX1TDP1ALDH1A1
SCHEMBL11384102 0.75 EPHX1 (0.35) SHBGNPSR1EPHX1TDP1ALDH1A1
SCHEMBL6438101 0.75 EPHX1 (0.33) NPSR1EPHX1TDP1ALDH1A1SLC6A3
SCHEMBL28955084 0.74 TDP1 (0.37) NPSR1EPHX1TDP1ALDH1A1TSHR
SCHEMBL8618781 0.74 TDP1 (0.42) SHBGNPSR1EPHX1TDP1ALDH1A1
Ethyl Acetate SCHEMBL3201904 0.74 ALDH1A1 (0.50) SHBGNPSR1EPHX1ALDH1A1ATM
SCHEMBL5273478 0.72 ALDH1A1 (0.42) SHBGNPSR1EPHX1TDP1ALDH1A1
SCHEMBL1784327 0.68 TSHR (0.41) EPHX1ALDH1A1SLC6A3ATMTSHR
SCHEMBL17080570 0.68 TDP1 (0.35) TDP1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1820503-B1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them PFIZER ITALIA SRL (IT) 2012-02-22 EP disclosed
EP-1432416-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PFIZER ITALIA SRL (IT) 2011-01-19 EP disclosed
US-7511136-B2 Aminoindazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2009-03-31 US disclosed
EP-1820503-A2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them Pfizer Italia S.r.l. (IT) 2007-08-22 EP disclosed
US-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them NERVIANO MEDICAL SCIENCES S.R.L (IT) 2004-12-16 US disclosed
EP-1432416-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pharmacia Italia S.p.A. (IT) 2004-06-30 EP disclosed
WO-2003028720-A1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PHARMACIA ITALIA S.P.A. (IT) 2003-04-10 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-20040254177-A1 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions containing them MAP3K15, MAP3K3, MAP3K5 SHBG 4790/4885NPSR1 4647/4885EPHX1 4124/4885

“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.