SCHEMBL13005265

SCHEMBL13005265

C=C(OOC(C)(C)C)Oc1ccc([S+](c2ccccc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.41
▸ MAPT P10636 4/20 0.37
▸ LMNA P02545 4/20 0.37
▸ POLB P06746 2/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PSEN1 P49768 2/20 0.36
▸ PSEN2 P49810 2/20 0.36
▸ APH1B Q8WW43 2/20 0.36
▸ NCSTN Q92542 2/20 0.36
▸ APH1A Q96BI3 2/20 0.36
▸ PSENEN Q9NZ42 2/20 0.36
▸ GPR174 Q9BXC1 1/20 0.36
▸ CTSK P43235 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL12228667 0.96 PSEN1 (0.38) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL8323320 0.86 PTPN1 (0.51) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL133377 0.86 PTPN1 (0.51) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL13098203 0.85 PTPN1 (0.44) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL13098233 0.82 PSEN1 (0.38) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL383065 0.81 PSEN1 (0.47) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL8319088 0.80 PTPN1 (0.52) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL3190513 0.77 PTPN1 (0.49) PTPN1MAPTLMNAPOLBCYP2C9
Trifluoromethanesulfonic Acid SCHEMBL8862138 0.76 PTPN1 (0.48) PTPN1MAPTLMNAPOLBCYP2C9
SCHEMBL12228664 0.76 PTPN1 (0.43) PTPN1MAPTLMNAPOLBCYP2C9

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-20100324329-A1 COMPOUND JSR CORPORATION (JP) 2010-12-23 — — 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-20100324329-A1 COMPOUND AFF2, AFF1, AFF4 PTPN1 3434/4885MAPT 3626/4885LMNA 1517/4885

“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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