SCHEMBL22353099

SCHEMBL22353099

Nc1ccc(-c2cnn[nH]2)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
GLA P06280 1/20 0.58
POLB P06746 1/20 0.58
TSHR P16473 1/20 0.58
AR P10275 2/20 0.35
NR1H2 P55055 1/20 0.35
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
TRPA1 O75762 1/20 0.33
MAPT P10636 4/20 0.33
KDM4E B2RXH2 4/20 0.33
KIF11 P52732 2/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
SRC P12931 1/20 0.32
CASP1 P29466 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
SCHEMBL22353117 0.76 ABCC8 (0.46) POLBARMAPTALDH1A1TDP1
SCHEMBL29350569 0.75 TSHR (1.00) GAAGLAPOLBTSHRAR
SCHEMBL17451259 0.75 TSHR (1.00) GAAGLAPOLBTSHRAR
SCHEMBL109685 0.75 TSHR (1.00) GAAGLAPOLBTSHRAR
Water SCHEMBL20506731 0.73 TSHR (0.95) GAAGLAPOLBTSHRAR
Hydrochloric Acid SCHEMBL8642589 0.73 TSHR (0.95) GAAGLAPOLBTSHRAR
Ammonia Solution, Strong SCHEMBL6812982 0.73 TSHR (0.95) GAAGLAPOLBTSHRAR
SCHEMBL22353101 0.73 CDK2 (0.40) PDE3BPDE3ATRPA1KIF11
SCHEMBL3574262 0.72 GAA (0.58) GAAGLAPOLBTSHRAR
SCHEMBL22607200 0.72 TSHR (0.91) GAAGLAPOLBTSHRAR

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-11161835-B2 Compounds and their use for reducing uric acid levels ACQUIST LLC (US) 2021-11-02 US disclosed
US-20200339545-A1 Compounds And Their Use For Reducing Uric Acid Levels ACQUIST LLC (US) 2020-10-29 US disclosed
US-10752613-B2 Compounds and their use for reducing uric acid levels ACQUIST LLC (US) 2020-08-25 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 (3 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-20200339545-A1 Compounds And Their Use For Reducing Uric Acid Levels XDH, OAT, PON1 GAA 336/4885GLA 703/4885POLB 1934/4885
US-11161835-B2 Compounds and their use for reducing uric acid levels XDH, OAT, PON1 GAA 336/4885GLA 703/4885POLB 1934/4885
US-10752613-B2 Compounds and their use for reducing uric acid levels XDH, OAT, PON1 GAA 336/4885GLA 703/4885POLB 1934/4885

“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.