SCHEMBL3420560

SCHEMBL3420560

CC(Nc1cc(Cl)c(O)c(C(=O)O)c1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 9/20 0.47
▸ AKR1C1 Q04828 8/20 0.47
▸ MCL1 Q07820 1/20 0.42
▸ GRIK1 P39086 1/20 0.40
▸ PTGER4 P35408 4/20 0.40
▸ PTGDR Q13258 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ TMPRSS4 Q9NRS4 1/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C4 P17516 1/20 0.39
▸ TTR P02766 1/20 0.38
▸ PDE2A O00408 1/20 0.38

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
SCHEMBL3417243 0.81 PTPN5 (0.45) AKR1C2MCL1GRIK1PTGER4P2RX1
SCHEMBL4116157 0.81 PTPN5 (0.44) AKR1C2MCL1GRIK1PTGER4P2RX1
SCHEMBL4833538 0.75 AKR1C2 (0.74) AKR1C2AKR1C1AKR1C3AKR1C4
SCHEMBL3420563 0.75 CNR1 (0.47) AKR1C2AKR1C1MCL1GRIK1P2RX1
SCHEMBL3417230 0.73 TMPRSS4 (0.44) P2RX1P2RX4P2RX7TMPRSS4PDE2A
SCHEMBL4897243 0.70 CNR2 (0.52) PDE2A
SCHEMBL6542509 0.70 ALDH1A1 (0.57) —
SCHEMBL7566604 0.70 GAA (0.61) —
SCHEMBL6542384 0.70 ALDH1A1 (0.57) —
SCHEMBL12269600 0.69 ATP1A1 (0.54) P2RX1

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-20100216749-A1 Combination Therapy for Neuroprotection S.H. PHARMA., LTD (KR) 2010-08-26 — — 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-20100216749-A1 Combination Therapy for Neuroprotection MPO, BDNF, NLN AKR1C2 2738/4885AKR1C1 2609/4885MCL1 4093/4885

“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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