SCHEMBL13187231

SCHEMBL13187231

COc1cccc(/C=N/c2cccc(C(=O)O)c2C)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 2/20 1.00
▸ TLR1 Q15399 2/20 1.00
▸ TLR6 Q9Y2C9 2/20 1.00
▸ LMNA P02545 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ HPGD P15428 2/20 0.65
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ SMN1; SMN2 Q16637 4/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ GAA P10253 3/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ HSP90AA1 P07900 1/20 0.59
▸ MAPT P10636 8/20 0.57
▸ KDM4E B2RXH2 4/20 0.52
▸ HTT P42858 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ G6PD P11413 1/20 0.52

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
SCHEMBL28982449 1.00 TLR2 (1.00) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL29819638 1.00 TLR2 (1.00) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL10090691 0.81 AKR1C3 (0.70) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL6009783 0.81 SMN1; SMN2 (0.76) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL524859 0.81 SMN1; SMN2 (0.76) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL13187253 0.78 TLR2 (0.64) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL17810910 0.76 MAPT (0.69) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL17810912 0.76 MAPT (0.69) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL17826053 0.76 MAPT (0.69) TLR2TLR1TLR6LMNAALDH1A1
SCHEMBL11413775 0.76 TLR2 (0.62) TLR2TLR1TLR6LMNAALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180110746-A1 SMALL MOLECULE INHIBITORS OF TLR2 SIGNALING UNIVERSITY OF MARYLAND, BALTIMORE 2018-04-26 — — US disclosed
US-20180110746-A1 SMALL MOLECULE INHIBITORS OF TLR2 SIGNALING UNIVERSITY OF MARYLAND, BALTIMORE 2018-04-26 — — US disclosed
WO-2010053606-A9 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-09-02 — — WO disclosed
WO-2010053606-A2 SMALL-MOLECULE INHIBITORS OF PROTEIN SYNTHESIS INACTIVATING TOXINS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2010-05-14 — — WO 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-20180110746-A1 SMALL MOLECULE INHIBITORS OF TLR2 SIGNALING TLR2, TLR1, TLR6 TLR2 1/4885TLR1 2/4885TLR6 3/4885

“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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