SCHEMBL21536076

SCHEMBL21536076

CC(C)C(CCS(C)(=O)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
PMP22 Q01453 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC6A3 Q01959 3/20 0.36
KCNA3 P22001 1/20 0.36
MEN1 O00255 1/20 0.35
AOC3 Q16853 1/20 0.35
RIPK1 Q13546 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 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
SCHEMBL17084181 0.81 TAAR1 (0.53) TAAR1PKMKMT2ALMNAKDM4E
SCHEMBL28256753 0.76 TAAR1 (0.57) TAAR1PKMKMT2ALMNAALDH1A1
SCHEMBL27609342 0.76 RIPK1 (0.52) KMT2ALMNAKDM4EGMNNALDH1A1
SCHEMBL7511084 0.74 TAAR1 (0.59) TAAR1PKMLMNASLC6A3AOC3
SCHEMBL7511093 0.74 TAAR1 (0.59) TAAR1PKMLMNASLC6A3AOC3
SCHEMBL26269478 0.73 TAAR1 (0.53) TAAR1PKMKMT2AALDH1A1KCNA3
SCHEMBL5661323 0.72 TAAR1 (0.57) TAAR1PKMKMT2ALMNAALDH1A1
SCHEMBL12073186 0.72 TAAR1 (0.57) TAAR1PKMLMNAKDM4EALDH1A1
SCHEMBL5232999 0.72 TAAR1 (0.57) TAAR1PKMLMNAKDM4EALDH1A1
SCHEMBL17363629 0.72 TAAR1 (0.57) TAAR1PKMLMNAKDM4EALDH1A1

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-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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 (2 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 TAAR1 2733/4885PKM 1304/4885KMT2A 2479/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 TAAR1 2733/4885PKM 1304/4885KMT2A 2479/4885

“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.