SCHEMBL22481366

SCHEMBL22481366

CC(F)(F)c1cc(Cl)c(Nc2ccccc2C(=O)NCCO)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.48
▸ HSD17B13 Q7Z5P4 1/20 0.45
▸ CXCL8 P10145 1/20 0.45
▸ MT-CO2 P00403 2/20 0.44
▸ FTO Q9C0B1 4/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ GPR52 Q9Y2T5 3/20 0.41
▸ HTR2B P41595 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
SCHEMBL22481354 0.84 PTGS2 (0.52) PTGS2CXCL8FTO
SCHEMBL22481034 0.80 PTGS2 (0.46) PTGS2HSD17B13CXCL8MT-CO2FTO
SCHEMBL30795667 0.70 GPR52 (0.55) MRGPRX4GPR52
SCHEMBL1578844 0.70 GPR52 (0.55) MRGPRX4GPR52
SCHEMBL13679149 0.70 PTGS2 (0.58) PTGS2CXCL8MT-CO2
SCHEMBL13143940 0.70 PTGS2 (0.53) PTGS2CXCL8MT-CO2
SCHEMBL10748316 0.70 CRBN (0.56) GPR52
SCHEMBL12529312 0.70 ESRRG (0.61) —
SCHEMBL30794636 0.70 MCL1 (0.43) CXCL8
SCHEMBL449207 0.70 MCL1 (0.43) CXCL8

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-20200308102-A1 MODULATORS OF POTASSIUM ION AND TRPV1 CHANNELS AND USES THEREOF RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2020-10-01 — — 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-20200308102-A1 MODULATORS OF POTASSIUM ION AND TRPV1 CHANNELS AND USES THEREOF TRPV1, TRPV2, TRPV5 PTGS2 573/4885HSD17B13 4329/4885CXCL8 4067/4885

“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.

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