Sugi Predict

Sugi Predict / Compounds / SCHEMBL6502340

SCHEMBL6502340

SCHEMBL6502340

C=C(NC(C)=O)C(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ LMNA P02545 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ BRD4 O60885 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL18227188 0.85 LMNA (0.55) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL10498167 0.83 GAA (0.49) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL13234392 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL13234390 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL13234396 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL13234404 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL13234425 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL13234388 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL13234389 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1
SCHEMBL7878587 0.81 ALDH1A1 (0.66) ALDH1A1LMNASMN1; SMN2KMT2AMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2559484-A1 Coordination complex system comprising a second bulding block without donor moiety Universiteit van Amsterdam (NL) 2013-02-20 — — EP disclosed
EP-2559484-A1 Coordination complex system comprising a second bulding block without donor moiety Universiteit van Amsterdam (NL) 2013-02-20 — — EP disclosed
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 — — US disclosed
EP-1123915-B1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process NIPPON CATALYTIC CHEM IND (JP) 2004-07-28 — — EP disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 — — WO disclosed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 — — EP disclosed
US-6541656-B2 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY, LTD. (JP) 2003-04-01 — — US disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 — — WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 — — US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 — — US disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 — — US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 — — WO disclosed
US-20010034300-A1 Reacting an alpha, beta unsaturated carboxylic acid ester with a heterocyclic oxygen nitrogen, or sulfur compound NIPPON SHOKUBAI COMPANY LTD. (JP) 2001-10-25 — — US disclosed
EP-1123915-A1 Process for producing alpha, beta-unsaturated carboxylic acid esters and catalyst for use in such process Nippon Shokubai Co., Ltd. (JP) 2001-08-16 — — EP disclosed
EP-0792258-A1 PROCESS FOR THE EFFICIENT PREPARATION OF N-SUBSTITUTED DEHYDROAMINO ACID ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-09-03 — — EP disclosed
US-5559268-A Process for the efficient preparation of N-substituted dehydroamino acid esters E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-09-24 — — US disclosed
WO-1996016021-A1 PROCESS FOR THE EFFICIENT PREPARATION OF N-SUBSTITUTED DEHYDROAMINO ACID ESTERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-05-30 — — 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 (3 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 ALDH1A1 299/4885LMNA 4772/4885SMN1; SMN2 2581/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D ALDH1A1 3095/4885LMNA 4758/4885SMN1; SMN2 1898/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D ALDH1A1 3095/4885LMNA 4758/4885SMN1; SMN2 1898/4885

“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.