SCHEMBL17973797

SCHEMBL17973797

O=C(O)CCCCC(CCSSCc1ccccc1)SCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ HDAC3 O15379 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HDAC4 P56524 1/20 0.47
▸ SLC6A3 Q01959 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ HDAC9 Q9UKV0 1/20 0.47
▸ HDAC5 Q9UQL6 1/20 0.47
▸ CYP2C19 P33261 1/20 0.44
▸ KEAP1 Q14145 1/20 0.42
▸ CYSLTR2 Q9NS75 5/20 0.42

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
SCHEMBL10307827 0.88 CYP2C19 (0.45) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL10307746 0.85 MAPT (0.53) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL12808380 0.83 ALDH1A1 (0.43) MAPTRXFP1HDAC3MAPK1ADRA1A
Cpi 613 SCHEMBL13333201 0.82 CYP2C19 (0.59) MAPTRXFP1HDAC3MAPK1ADRA1A
Cpi 613 SCHEMBL1062218 0.82 CYP2C19 (0.59) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL10454113 0.81 CYP2C19 (0.46) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL17381514 0.81 CYP2C19 (0.58) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL22299081 0.81 CYP2C19 (0.58) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL14027322 0.78 ALDH1A1 (0.40) MAPTRXFP1SMN1; SMN2CYP2C19IDO1
SCHEMBL10307822 0.78 CYP2C19 (0.43) MAPTRXFP1HDAC3MAPK1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160220678-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES RAFAEL PHARMACEUTICALS, INC. 2016-08-04 — — US disclosed
US-20160220678-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES RAFAEL PHARMACEUTICALS, INC. 2016-08-04 — — 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-20160220678-A1 PHARMACEUTICAL FORMULATIONS CONTAINING LIPOIC ACID DERIVATIVES SLC25A1, SLC25A21, SLC25A11 MAPT 2395/4885RXFP1 4531/4885HDAC3 4224/4885

“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.

Send feedback