SCHEMBL6601322

SCHEMBL6601322

CCOc1c(F)c(-c2ccc(C(=O)OC)cc2)nn1CCOc1ccc(-c2ccc(C(C)=O)s2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
PGK1 P00558 1/20 0.37
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GCGR P47871 1/20 0.35
GIPR P48546 1/20 0.35
ABL1 P00519 2/20 0.35
KMT2A Q03164 2/20 0.34
GLA P06280 1/20 0.34
NLRP3 Q96P20 1/20 0.34
STS P08842 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
PDE5A O76074 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6602612 0.92 HSD17B1 (0.38) HSD17B1HSD17B2PGK1MAPTALDH1A1
SCHEMBL6602641 0.92 HSD17B1 (0.37) HSD17B1HSD17B2PGK1MAPTALDH1A1
SCHEMBL6607115 0.86 ACLY (0.39) MAPTALDH1A1GCGRGIPRKMT2A
SCHEMBL6604278 0.85 ALDH1A1 (0.36) MAPTALDH1A1GCGRGIPRKMT2A
SCHEMBL6603554 0.84 NLRP3 (0.38) HSD17B1HSD17B2PGK1MAPTALDH1A1
SCHEMBL6602511 0.83 ALDH1A1 (0.37) MAPTALDH1A1GCGRGIPRKMT2A
SCHEMBL6804198 0.78 MAPT (0.40) MAPTALDH1A1GCGRGIPRKMT2A
SCHEMBL6604701 0.78 TNFRSF1A (0.39) MAPTALDH1A1GCGRGIPRKMT2A
SCHEMBL6602442 0.78 ALDH1A1 (0.36) MAPTALDH1A1GCGRGIPRKMT2A
SCHEMBL6602552 0.77 GCGR (0.36) MAPTALDH1A1GCGRGIPRKMT2A

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 HSD17B1 212/4885HSD17B2 116/4885PGK1 186/4885

“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.