Sugi Predict

Sugi Predict / Compounds / SCHEMBL198716

SCHEMBL198716

SCHEMBL198716

CC(O)CC[C@H](N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PMP22 Q01453 2/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ BLM P54132 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ BHMT Q93088 2/20 0.53
▸ BHMT2 Q9H2M3 1/20 0.53
▸ SLC1A3 P43003 3/20 0.52
▸ SLC1A2 P43004 3/20 0.52
▸ SLC1A1 P43005 3/20 0.52
▸ GSR P00390 2/20 0.52
▸ SLC7A5 Q01650 1/20 0.52
▸ GRM8 O00222 1/20 0.52
▸ GRM6 O15303 1/20 0.52
▸ GRIN2D O15399 1/20 0.52
▸ GRIN3B O60391 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ GRIK1 P39086 1/20 0.52
▸ GRM5 P41594 1/20 0.52
▸ GRIA1 P42261 1/20 0.52
▸ GRIA2 P42262 1/20 0.52

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
SCHEMBL1512920 1.00 PMP22 (0.56) PMP22ALOX15BLMKMT2ABHMT
SCHEMBL4408300 1.00 PMP22 (0.56) PMP22ALOX15BLMKMT2ABHMT
SCHEMBL198373 0.86 GSR (0.52) PMP22ALOX15BLMKMT2ABHMT
SCHEMBL25660446 0.86 GSR (0.56) PMP22ALOX15BLMKMT2ASLC1A3
SCHEMBL27458499 0.84 GSR (0.59) PMP22ALOX15BLMKMT2AGSR
SCHEMBL8068164 0.84 GSR (0.68) PMP22ALOX15BLMKMT2ABHMT
SCHEMBL602426 0.84 GSR (0.68) PMP22ALOX15BLMKMT2ABHMT
SCHEMBL59989 0.82 BHMT (0.55) PMP22ALOX15BLMKMT2ABHMT
SCHEMBL1895927 0.82 BHMT (0.55) PMP22ALOX15BLMKMT2ABHMT
SCHEMBL17039475 0.82 BHMT (0.55) PMP22ALOX15BLMKMT2ABHMT

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 138 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9101662-B2 Compositions with modulating agents FOAMIX PHARMACEUTICALS LTD. (IL) 2015-08-11 — — US claimed
US-8795693-B2 Compositions with modulating agents FOAMIX LTD. (IL) 2014-08-05 — — US claimed
US-20130316409-A1 Nitrilases, Nucleic Acids Encoding Them and Methods for Making and Using Them VERENIUM CORPORATION (US) 2013-11-28 — — US claimed
EP-1242589-B1 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS VERENIUM CORP (US) 2013-11-13 — — EP claimed
US-8501451-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2013-08-06 — — US claimed
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them VERENIUM CORPORATION (US) 2012-01-12 — — US claimed
US-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM VERENIUM CORPORATION (US) 2012-01-12 — — US claimed
US-8088613-B2 Nitrilases, nucleic acids encoding them and methods for making and using them VERENIUM CORPORATION (US) 2012-01-03 — — US claimed
US-8034595-B2 Nitrilases and methods for making and using them VERENIUM CORPORATION (US) 2011-10-11 — — US claimed
EP-2097065-A2 FOAMABLE WATERLESS COMPOSITIONS WITH MODULATING AGENTS Foamix Ltd. (IL) 2009-09-09 — — EP claimed
US-20030055052-A1 FAP-activated anti-tumor compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-03-20 — — US claimed
US-20020155565-A1 FAP-activated anti-tumor compounds BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-24 — — US claimed
EP-1242589-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE ALPHA-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2002-09-25 — — EP claimed
WO-2002038591-A1 FAP-ACTIVATED ANTI-TUMOR COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-16 — — WO claimed
WO-2002038590-A1 FAP-ALPHA-ACTIVATED ANTI-TUMOR COMPOUNDS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-16 — — WO claimed
WO-2002038187-A1 FAP-ACTIVATED ANTI-TUMOUR PRODRUG BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-16 — — WO claimed
EP-1180116-A2 FAP-ACTIVATED ANTI-TUMOR COMPOUNDS Boehringer Ingelheim Pharma KG (DE) 2002-02-20 — — EP claimed
US-20020012974-A1 Genetic engineered nucleic acid promoter VERENIUM CORPORATION 2002-01-31 — — US claimed
WO-2001048175-A2 METHODS FOR PRODUCING ENANTIOMERICALLY PURE α-SUBSTITUTED CARBOXYLIC ACIDS DIVERSA CORPORATION (US) 2001-07-05 — — WO claimed
WO-2000071571-A2 FAP-ACTIVATED ANTI-TUMOR COMPOUNDS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-11-30 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20120009633-A1 NITRILASES AND METHODS FOR MAKING AND USING THEM ASNS, DNPEP, ASPH PMP22 2581/4885ALOX15 1304/4885BLM 4870/4885
US-20020155565-A1 FAP-activated anti-tumor compounds FAP, FIBP, DNPEP PMP22 3039/4885ALOX15 2539/4885BLM 2409/4885
US-20020012974-A1 Genetic engineered nucleic acid promoter RNGTT, ASPH, ALKBH3 PMP22 3291/4885ALOX15 2329/4885BLM 4255/4885
US-20120009637-A1 Nitrilases, Nucleic Acids Encoding Them and Methods For Making and Using Them RNGTT, NSUN2, NSUN3 PMP22 2074/4885ALOX15 2988/4885BLM 2863/4885
US-20030055052-A1 FAP-activated anti-tumor compounds FAP, APC, FIBP PMP22 3439/4885ALOX15 1974/4885BLM 2218/4885

“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.