SCHEMBL22481034

SCHEMBL22481034

CCCC(F)(F)Oc1cc(Cl)c(Nc2ccccc2C(=O)NCCO)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.46
▸ HSD17B13 Q7Z5P4 1/20 0.40
▸ CXCL8 P10145 1/20 0.40
▸ MT-CO2 P00403 3/20 0.40
▸ GPR52 Q9Y2T5 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ FTO Q9C0B1 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CASP7 P55210 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CCR2 P41597 1/20 0.37
▸ CCR4 P51679 1/20 0.37

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
SCHEMBL22481366 0.80 PTGS2 (0.48) PTGS2HSD17B13CXCL8MT-CO2GPR52
SCHEMBL22481354 0.78 PTGS2 (0.52) PTGS2CXCL8FTOKDM4EALDH1A1
SCHEMBL10748316 0.65 CRBN (0.56) GPR52HPGDKDM4EALDH1A1MAPT
SCHEMBL27750343 0.65 NPC1 (0.68) HPGDKDM4EALDH1A1MAPTCASP1
SCHEMBL12967133 0.64 MCHR1 (0.57) GPR52
SCHEMBL12766869 0.64 MCHR1 (0.55) PTGS2HPGDKDM4EALDH1A1MAPT
SCHEMBL10989397 0.64 PTGS2 (0.64) PTGS2MT-CO2HPGDKDM4EALDH1A1
SCHEMBL1499645 0.63 MCHR1 (0.62) PTGS2HPGDKDM4EALDH1A1
SCHEMBL13143940 0.63 PTGS2 (0.53) PTGS2CXCL8MT-CO2HPGDKDM4E
SCHEMBL13679149 0.63 PTGS2 (0.58) PTGS2CXCL8MT-CO2HPGD

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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