SCHEMBL5256102

SCHEMBL5256102

CC(CCC(=O)O)c1nc2ccccc2s1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ ALOX5 P09917 1/20 0.52
▸ HPGD P15428 6/20 0.51
▸ POLB P06746 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ AKR1B1 P15121 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 4/20 0.48
▸ CASP1 P29466 1/20 0.46
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL15149247 0.85 LOXL2 (0.63) LOXL2SMN1; SMN2ALOX15HTTALOX5
SCHEMBL20178515 0.83 LOXL2 (0.69) LOXL2SMN1; SMN2ALOX15ALOX5HPGD
SCHEMBL21393088 0.79 LOXL2 (0.52) LOXL2SMN1; SMN2ALOX15HTTALOX5
SCHEMBL7596070 0.79 SMN1; SMN2 (0.58) LOXL2SMN1; SMN2ALOX15HTTALOX5
SCHEMBL22919771 0.78 LOXL2 (0.65) LOXL2SMN1; SMN2ALOX5HPGDHSD17B10
SCHEMBL3963337 0.77 HPGD (0.60) LOXL2SMN1; SMN2ALOX15ALOX5HPGD
SCHEMBL21013873 0.77 LOXL2 (0.73) LOXL2ALOX15ALOX5HPGDHSD17B10
SCHEMBL1412715 0.77 LOXL2 (0.73) LOXL2ALOX15ALOX5HPGDHSD17B10
SCHEMBL28392684 0.77 LOXL2 (0.72) LOXL2SMN1; SMN2ALOX5HPGDHSD17B10
SCHEMBL28712690 0.76 SMN1; SMN2 (0.54) LOXL2SMN1; SMN2ALOX15HTTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 — — EP claimed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 — — US claimed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 — — WO claimed
EP-1853276-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 The Brighamn and Women's Hospital, Inc. (US) 2007-11-14 — — EP disclosed
US-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-31 — — US disclosed
WO-2006089221-A2 COMPOUNDS INHIBITING THE AGGREGATION OF SUPEROXIDE DISMUTASE-1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2006-08-24 — — WO 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-20060194821-A1 Compounds inhibiting the aggregation of superoxide dismutase-1 SOD1, SOD3, CAT LOXL2 2140/4885SMN1; SMN2 8/4885ALOX15 1506/4885

“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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