SCHEMBL5339648

SCHEMBL5339648

CCS(=O)(=O)c1ccc(NN)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.59
CA2 P00918 7/20 0.59
CA12 O43570 6/20 0.59
CA9 Q16790 5/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
CA5A P35218 1/20 0.59
CA7 P43166 1/20 0.59
CA14 Q9ULX7 1/20 0.59
CA5B Q9Y2D0 1/20 0.59
GAA P10253 2/20 0.57
ALDH1A1 P00352 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
PSIP1 O75475 2/20 0.55
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.52
RORC P51449 3/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL9704339 0.83 CA2 (0.50) CA1CA2CA12CA9CA4
SCHEMBL9703239 0.81 CA2 (0.57) CA1CA2CA12CA9CA4
SCHEMBL27260407 0.81 CA1 (0.57) CA1CA2CA12CA9CA4
SCHEMBL10455034 0.81 PSIP1 (0.74) CA2GAAALDH1A1KMT2AMEN1
SCHEMBL8892467 0.80 CA12 (0.59) CA1CA2CA12CA9GAA
SCHEMBL9017375 0.80 THRB (0.49) CA1CA2CA12CA9CA4
Hydrochloric Acid SCHEMBL6528154 0.79 CA2 (0.55) CA1CA2CA12CA9CA4
SCHEMBL10294706 0.78 PSIP1 (0.52) CA1CA2CA12CA9GAA
Hydrochloric Acid SCHEMBL28072894 0.78 CA12 (0.57) CA1CA2CA12CA9GAA
SCHEMBL6949807 0.78 CYP2C9 (0.66) CA1CA2CA12CA9CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-7186743-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2007-03-06 US disclosed
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation BERGMANIS ARIJA A 2005-11-17 US disclosed
US-6956052-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION (US) 2005-10-18 US disclosed
EP-1501805-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2005-02-02 EP disclosed
EP-1444207-A2 SUBSTITUTED PYRAZOLYL-COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-08-11 EP disclosed
US-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORARTION 2004-06-10 US disclosed
WO-2003095430-A1 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-11-20 WO disclosed
WO-2003024935-A2 SUBSTITUTED PYRAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 WO disclosed
US-5041648-A Cosmetics or treatment of skin disorders BASF AKTIENGESELLSCHAFT (DE) 1991-08-20 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 (2 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-20040110741-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CA1 3517/4885CA2 3534/4885CA12 3859/4885
US-20050256180-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CA1 3517/4885CA2 3534/4885CA12 3859/4885

“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.