SCHEMBL14520763

SCHEMBL14520763

COc1ccc(C)c(S(=O)(=O)C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ PKM P14618 2/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CNR2 P34972 5/20 0.40
▸ CNR1 P21554 2/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ KCNJ6 P48051 1/20 0.40
▸ KCNJ5 P48544 1/20 0.40

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
SCHEMBL14519874 0.82 L3MBTL1 (0.60) ALDH1A1NPSR1SMN1; SMN2LMNAGAA
SCHEMBL14866325 0.81 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL9881333 0.79 SMN1; SMN2 (0.53) ALDH1A1NPSR1SMN1; SMN2LMNAHPGD
SCHEMBL8295570 0.78 ALDH1A1 (0.51) ALDH1A1NPSR1SMN1; SMN2LMNAHPGD
SCHEMBL28188560 0.78 ALDH1A1 (0.48) ALDH1A1NPSR1SMN1; SMN2LMNAHPGD
SCHEMBL8300776 0.78 POLB (0.49) ALDH1A1NPSR1SMN1; SMN2LMNAHPGD
SCHEMBL14866241 0.77 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2GAAL3MBTL1NPC1
SCHEMBL14464889 0.77 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNAHPGDGAA
SCHEMBL14866258 0.76 TXNRD1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBRAB9A
SCHEMBL31213824 0.75 L3MBTL1 (0.70) ALDH1A1NPSR1SMN1; SMN2LMNAHPGD

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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 — — 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-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 ALDH1A1 1079/4885NPSR1 3274/4885SMN1; SMN2 2049/4885

“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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