Sugi Predict

Sugi Predict / Compounds / SCHEMBL903409

SCHEMBL903409

SCHEMBL903409

CO[C@@H]([C@@H]1CCCN1)[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 5/20 0.54
▸ ERAP2 Q6P179 5/20 0.54
▸ ERAP1 Q9NZ08 5/20 0.54
▸ LNPEP Q9UIQ6 1/20 0.53
▸ TACR1 P25103 8/20 0.51
▸ NMBR P28336 1/20 0.51
▸ MAPT P10636 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTT P42858 1/20 0.49

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
Trifluoroacetic Acid SCHEMBL13722820 0.96 TACR1 (0.51) IL1RNERAP2ERAP1LNPEPTACR1
Trifluoroacetic Acid SCHEMBL15284237 0.94 TACR1 (0.49) IL1RNERAP2ERAP1LNPEPTACR1
SCHEMBL16409086 0.89 TACR1 (0.53) IL1RNERAP2ERAP1LNPEPTACR1
SCHEMBL20425434 0.88 ECE1 (0.55) —
SCHEMBL20425433 0.88 ECE1 (0.55) —
SCHEMBL903556 0.88 ECE1 (0.55) —
SCHEMBL903526 0.87 ALDH1A1 (0.45) TACR1MAPT
Trifluoroacetic Acid SCHEMBL13731057 0.84 ECE1 (0.50) —
Trifluoroacetic Acid SCHEMBL13732528 0.83 ITGB3 (0.43) MAPT
Trifluoroacetic Acid SCHEMBL13731181 0.83 ITGB3 (0.43) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 — — US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 — — US disclosed
EP-2621508-B1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF SEATTLE GENETICS INC (US) 2015-08-26 — — EP disclosed
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 — — US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 — — US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 — — US disclosed
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-01-29 — — US disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 — — US disclosed
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 — — US disclosed
WO-2013087716-A2 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 — — WO disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 — — US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 — — US disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 — — WO disclosed
WO-2012041805-A1 N-CARBOXYALKYL AURISTATINS AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-04-05 — — 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 (9 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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 IL1RN 1301/4885ERAP2 1297/4885ERAP1 811/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 IL1RN 2372/4885ERAP2 1999/4885ERAP1 1135/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 IL1RN 2372/4885ERAP2 1999/4885ERAP1 1135/4885
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF HDGF, HGF, HGFAC IL1RN 998/4885ERAP2 1491/4885ERAP1 1042/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF IL1RN 1153/4885ERAP2 1649/4885ERAP1 1189/4885
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR IL1RN 1809/4885ERAP2 1908/4885ERAP1 1629/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR IL1RN 1809/4885ERAP2 1908/4885ERAP1 1629/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 IL1RN 2372/4885ERAP2 1999/4885ERAP1 1135/4885
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 IL1RN 2261/4885ERAP2 1976/4885ERAP1 1130/4885

“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.