SCHEMBL5376092

SCHEMBL5376092

CCC(O)(CC)c1cc(C(N)=O)no1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 1/20 0.35
▸ EGFR P00533 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SIRT6 Q8N6T7 1/20 0.32
▸ RET P07949 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL2677759 0.83 EGFR (0.36) EGFRHSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL1515627 0.78 ALDH1A1 (0.49) EGFRALDH1A1MAPK1LMNARET
SCHEMBL5376094 0.77 HCRTR2 (0.32) HCRTR2
Hydrochloric Acid SCHEMBL3712256 0.77 ALDH1A1 (0.48) EGFRALDH1A1MAPK1LMNARET
SCHEMBL3809947 0.76 EGFR (0.36) EGFRHSP90AA1HSP90AB1ALDH1A1MAPK1
SCHEMBL24939143 0.75 SMN1; SMN2 (0.38) EGFRALDH1A1MAPK1LMNASIRT6
SCHEMBL12467195 0.74 KMT2A (0.42) ALDH1A1MAPK1LMNASIRT6RET
SCHEMBL3709322 0.72 SIRT6 (0.36) EGFRALDH1A1MAPK1SIRT6RET
SCHEMBL14351779 0.72 SMN1; SMN2 (0.34) EGFRALDH1A1MAPK1LMNARET
SCHEMBL2619071 0.71 THRB (0.48) RETMAPTSMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 — — US claimed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 — — EP claimed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 — — WO claimed
US-7241786-B2 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER INC (US) 2007-07-10 — — US disclosed
EP-1636220-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2006-03-22 — — EP disclosed
US-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders PFIZER, INC. 2004-12-02 — — US disclosed
WO-2004099200-A1 ISOXAZOLE AND ISOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-11-18 — — 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-20040242666-A1 Isoxazole and isothiazole compounds for the treatment of neurodegenerative disorders NPY1R, PARK7, IAPP HCRTR2 226/4885EGFR 2694/4885HSP90AA1 2366/4885

“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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