SCHEMBL7147963

SCHEMBL7147963

C[C](OC(C)=O)c1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PTPN1 P18031 1/20 0.48
KMT2A Q03164 9/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 1/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL584513 0.84 KMT2A (0.56) CES2CES1PTPN1KMT2AALDH1A1
SCHEMBL28201534 0.82 KMT2A (0.54) CES2CES1PTPN1KMT2AALDH1A1
SCHEMBL43960 0.76
SCHEMBL27777913 0.76 CES2 (0.65) CES2CES1PTPN1KMT2AALDH1A1
Acetic Acid Methyl Ester SCHEMBL27507525 0.74 CES2 (0.57) CES2CES1PTPN1KMT2AALDH1A1
SCHEMBL896787 0.74 CES2 (0.62) CES2CES1PTPN1KMT2AALDH1A1
Methane SCHEMBL27898477 0.74
SCHEMBL27514702 0.74 CES2 (0.62) CES2CES1PTPN1KMT2AALDH1A1
Water SCHEMBL27897236 0.74
SCHEMBL27670963 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6645960-B1 Antiprotozoa agents for animal or human infections GLAXO WELLCOME S.A. (ES) 2003-11-11 US disclosed
US-6436930-B1 FOR TREATMENT OF INFECTIONS BY CANDIDA ALBICANS BRISTOL-MYERS SQUIBB COMPANY 2002-08-20 US disclosed
EP-1228049-A1 ANTIFUNGAL SORDARICIN DERIVATIVES Glaxo Wellcome S.A. (ES) 2002-08-07 EP disclosed
US-6410528-B1 FUNGICIDES, ANTIPROTOZOA AGENT GLAXO WELLCOME S.A. (ES) 2002-06-25 US disclosed
US-20020035073-A1 Novel thio derivatives of sordarin as antifungal agents BRISTOL-MYERS SQUIBB COMPANY 2002-03-21 US disclosed
WO-2002022567-A1 NOVEL THIO DERIVATIVES OF SORDARIN AS ANTIFUNGAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-21 WO disclosed
WO-2001034583-A1 ANTIFUNGAL SORDARICIN DERIVATIVES GLAXO WELLCOME SA (ES) 2001-05-17 WO disclosed
EP-1077959-A1 MORPHOLINO ETHERS Glaxo Wellcome S.A. (ES) 2001-02-28 EP disclosed
WO-1999058512-A1 MORPHOLINO ETHERS GLAXO WELLCOME S.A. (ES) 1999-11-18 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-20020035073-A1 Novel thio derivatives of sordarin as antifungal agents SORD, SFXN1, TST CES2 3899/4885CES1 3025/4885PTPN1 1561/4885

“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.