SCHEMBL4907252

SCHEMBL4907252

Cc1c(Oc2ncc(Cl)cc2[N+](=O)[O-])cccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
CCR2 P41597 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CCR4 P51679 1/20 0.45
CCR5 P51681 1/20 0.45
DHODH Q02127 1/20 0.41
MAPT P10636 2/20 0.41
GFER P55789 1/20 0.41
PIN1 Q13526 4/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4907245 1.00 TSHR (0.51) TSHRCCR2CYP1A2CYP3A4CYP2D6
SCHEMBL4910090 0.81 ALDH1A1 (0.47) CCR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4913350 0.80 MAPT (0.42) TSHRCCR2MAPTPIN1MEN1
SCHEMBL4913344 0.80 MAPT (0.42) TSHRCCR2MAPTPIN1MEN1
SCHEMBL4912883 0.78 PIN1 (0.38) TSHRCCR2CYP1A2CYP3A4CYP2D6
SCHEMBL4912892 0.78 PIN1 (0.38) TSHRCCR2CYP1A2CYP3A4CYP2D6
SCHEMBL4912851 0.77 CCR2 (0.54) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL10222852 0.77 PIN1 (0.43) TSHRMAPTGFERPIN1MEN1
SCHEMBL4910462 0.76 ALDH1A1 (0.55) CCR2CYP3A4CYP2C9CYP2C19CCR4
SCHEMBL307028 0.76 PIN1 (0.65) MAPTGFERPIN1MEN1KMT2A

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 TSHR 861/4885CCR2 1/4885CYP1A2 898/4885

“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.