SCHEMBL8107490

SCHEMBL8107490

CCOC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.77
TSHR P16473 2/20 0.57
RAB9A P51151 8/20 0.56
SMN1; SMN2 Q16637 8/20 0.56
NPC1 O15118 6/20 0.56
MAPT P10636 5/20 0.56
KMT2A Q03164 4/20 0.56
MAPK1 P28482 3/20 0.52
MEN1 O00255 3/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.47
RECQL P46063 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
SCHEMBL8115574 0.90 ALDH1A1 (0.64) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8119344 0.90 ALDH1A1 (0.73) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8122562 0.88 ALDH1A1 (0.61) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8116252 0.87 ALDH1A1 (0.60) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL2175455 0.87 ALDH1A1 (0.63) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8115888 0.86 ALDH1A1 (0.59) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL16112294 0.86 RAB9A (0.70) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8121439 0.86 ALDH1A1 (0.59) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8114779 0.86 ALDH1A1 (0.59) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8107500 0.86 ALDH1A1 (0.59) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1

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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT GLAXOSMITHKLINE LLC (US) 2011-03-03 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-20080234267-A1 Compounds and Methods of Treatment SMITHKLINE BEECHAM CORPORATION 2008-09-25 US disclosed
US-6127382-A AN ANTIPROLIFERATIVE AGENT FOR TREATING SKIN-RELATED DISEASES, AN ANTITUMOR AGENT TREATING CANCER, AN ANTIINFLAMMATORY AGENT TREATING PULMONARY FIBROSIS, ILEITIS, COLITIS AND KROHN'S DISEASE ALLERGAN SALES, INC. (US) 2000-10-03 US disclosed
US-6114546-A Aminomethylene derivatives and ultraviolet absorbent comprising thereof CHEMIPRO KASEI KAISHA, LIMITED (JP) 2000-09-05 US disclosed
EP-0950655-A1 AMINOMETHYLENE DERIVATIVES AND ULTRAVIOLET ABSORBER COMPRISING THE SAME CHEMIPRO KASEI KAISHA, LIMITED (JP) 1999-10-20 EP 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-20110053934-A1 COMPOUNDS AND METHODS OF TREATMENT RET, ABL1, PRKACA ALDH1A1 3221/4885TSHR 1449/4885RAB9A 578/4885
US-20080234267-A1 Compounds and Methods of Treatment RET, ABL1, PRKACA ALDH1A1 3221/4885TSHR 1449/4885RAB9A 578/4885

“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.