SCHEMBL17921155

SCHEMBL17921155

CC(=O)C(CCCCc1ccc(-c2ccc(C)s2)s1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ PRNP P04156 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ RPS6KB2 Q9UBS0 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17921182 0.99 ALDH1A1 (0.36) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL17921159 0.96 RPS6KB2 (0.33) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL16511334 0.87 MMP9 (0.36) ALDH1A1RPS6KB2TAS1R3TAS1R1L3MBTL1
SCHEMBL17921161 0.86 LMNA (0.33) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL16511435 0.86 MMP9 (0.38) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL17921183 0.85 LMNA (0.35) ALDH1A1LMNAPRNPRECQLRXFP1
SCHEMBL17921154 0.83 DPP4 (0.46) ALDH1A1LMNAHPGDL3MBTL1NPC1
SCHEMBL17921184 0.83 ALDH1A1 (0.45) ALDH1A1LMNAHPGDL3MBTL1NPC1
SCHEMBL17921168 0.83 LTB4R (0.33) ALDH1A1L3MBTL1PTGS1PTGS2NPC1
SCHEMBL16511778 0.83 MMP9 (0.36) ALDH1A1RPS6KB2TAS1R3TAS1R1L3MBTL1

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-20160200673-A1 Antibacterial Compounds DUKE UNIVERSITY 2016-07-14 — — 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-20160200673-A1 Antibacterial Compounds Q6ZSR9, MRPL21, XDH ALDH1A1 2944/4885LMNA 3247/4885PRNP 3025/4885

“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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