SCHEMBL6601799

SCHEMBL6601799

CCOc1cc(-c2ccc(C(=O)OC)cc2)nn1CCOc1ccc(C(C)C)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
NLRP3 Q96P20 2/20 0.41
GCGR P47871 2/20 0.40
GIPR P48546 2/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
FAAH O00519 1/20 0.36
TP53 P04637 2/20 0.35
MDM2 Q00987 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
S1PR4 O95977 1/20 0.35
XPO1 O14980 1/20 0.35
PTGES O14684 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ERN1 O75460 1/20 0.34

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
SCHEMBL6603996 0.91 TP53 (0.44) MAPTGCGRGIPRALDH1A1MEN1
SCHEMBL6600968 0.88 MEN1 (0.43) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6602643 0.88 KMT2A (0.44) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6601993 0.88 MEN1 (0.41) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6607403 0.88 NLRP3 (0.43) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6800862 0.88 NLRP3 (0.43) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6601520 0.88 NLRP3 (0.42) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6602104 0.88 NLRP3 (0.44) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6607205 0.86 NLRP3 (0.40) MAPTNLRP3GCGRGIPRALDH1A1
SCHEMBL6600937 0.85 TP53 (0.41) MAPTNLRP3GCGRGIPRALDH1A1

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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION 2004-09-16 US disclosed
EP-1432689-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS Bayer Corporation (US) 2004-06-30 EP disclosed
WO-2003027074-A1 PYRAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF HYPER-PROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040180891-A1 Pyrazole derivatives useful in the treatment of hyper-proliferative disorders MKI67, CDK4, FLT4 MAPT 3013/4885NLRP3 1134/4885GCGR 2460/4885

“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.