SCHEMBL4912883

SCHEMBL4912883

Cc1ncc(Oc2ncc(Cl)cc2[N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 2/20 0.37
PTGER4 P35408 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CCR2 P41597 3/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TTR P02766 1/20 0.36
PPOX P50336 1/20 0.36
PPARG P37231 1/20 0.36
GFER P55789 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CCR4 P51679 1/20 0.35

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
SCHEMBL4912892 1.00 PIN1 (0.38) PIN1TSHRPOLBPTGER4L3MBTL1
SCHEMBL4913350 0.83 MAPT (0.42) PIN1TSHRPOLBPTGER4CCR2
SCHEMBL4913344 0.83 MAPT (0.42) PIN1TSHRPOLBPTGER4CCR2
SCHEMBL4911313 0.81 PTGER4 (0.39) TSHRPTGER4CCR2KMT2ACYP1A2
SCHEMBL4907252 0.78 TSHR (0.51) PIN1TSHRPOLBPTGER4CCR2
SCHEMBL4907245 0.78 TSHR (0.51) PIN1TSHRPOLBPTGER4CCR2
SCHEMBL4915024 0.76 CYP2C9 (0.47) PIN1TSHRPTGER4CCR2CYP3A4
SCHEMBL306660 0.76 PIN1 (0.62) PIN1TSHRL3MBTL1MAPTTDP1
SCHEMBL11005079 0.75 TDP1 (0.54) PIN1TSHRL3MBTL1CCR2TDP1
SCHEMBL2885992 0.74 MEN1 (0.55) POLBMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 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 (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-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors CCR2, CCR1, CCRL2 PIN1 640/4885TSHR 861/4885POLB 4267/4885

“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.