SCHEMBL2221138

SCHEMBL2221138

CC(C)(OCc1ccc(-c2ccccc2)cc1)C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.53
SLC16A1 P53985 3/20 0.49
MCTS1 Q9ULC4 3/20 0.49
PPARG P37231 2/20 0.49
ABCC4 O15439 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
PTGS1 P23219 1/20 0.47
HTT P42858 1/20 0.47
IDO1 P14902 1/20 0.47
AGXT P21549 1/20 0.47

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
SCHEMBL883026 0.89 SLC16A3 (0.55) SLC16A3SLC16A1MCTS1PPARG
Clobuzarit SCHEMBL187456 0.87 SLC16A3 (0.62) SLC16A3SLC16A1MCTS1PPARG
SCHEMBL3125403 0.86 IDO1 (0.47) ABCC4LMNAGAATSHRPTGS1
SCHEMBL11654721 0.81 ABCC4 (0.42) ABCC4LMNAGAATSHRPTGS1
SCHEMBL2352150 0.81 RXRA (0.46) SLC16A3SLC16A1MCTS1PPARGIDO1
SCHEMBL8935661 0.81 SLC16A3 (0.46) SLC16A3SLC16A1MCTS1PPARGIDO1
SCHEMBL2215266 0.81 RXRA (0.46) SLC16A3SLC16A1MCTS1PPARGLMNA
SCHEMBL2220152 0.80 MAPT (0.45)
SCHEMBL10819593 0.80 IDO1 (0.55) IDO1AGXT
SCHEMBL31377393 0.79 NPC1 (0.53) SLC16A3SLC16A1MCTS1PPARGHTT

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-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents PFIZER INC. (US) 2011-07-21 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-20110178042-A1 Hydroxamic Acid Derivatives Useful as Antibacterial Agents HCAR1, HDAC1, H1-0 SLC16A3 132/4885SLC16A1 44/4885MCTS1 2475/4885

“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.