SCHEMBL2597745

SCHEMBL2597745

Cc1cc(C(C)C(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.58
AKR1C2 P52895 13/20 0.58
TSHR P16473 2/20 0.57
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGS1 P23219 2/20 0.43
PTGS2 P35354 2/20 0.43
CDC42 P60953 1/20 0.43
RAC1 P63000 1/20 0.43

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
SCHEMBL2597746 1.00 AKR1C3 (0.58) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL31212652 0.87 TSHR (0.57) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL2597759 0.85 TSHR (0.58) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL2597758 0.85 TSHR (0.58) AKR1C3AKR1C2TSHRMAPTALDH1A1
SCHEMBL4142382 0.84 GRM8 (0.50) AKR1C3AKR1C2TSHRPTGS1PTGS2
SCHEMBL5948037 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL30192831 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL5948033 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL29231640 0.83 AKR1C3 (0.59) AKR1C3AKR1C2TSHRMAPTMEN1
SCHEMBL27297826 0.83 AKR1C3 (0.47) AKR1C3AKR1C2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2011145022-A1 2-PHENYL BENZOYLAMIDES PFIZER INC. (US) 2011-11-24 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 AKR1C3 1357/4885AKR1C2 1698/4885TSHR 4768/4885

“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.