SCHEMBL2780499

SCHEMBL2780499

Cc1ccsc1NC(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PKM P14618 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPRB P23467 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ PTK2 Q05397 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ NCOR2 Q9Y618 1/20 0.34

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
Hydrochloric Acid SCHEMBL6775496 0.98 ALDH1A1 (0.38) ALDH1A1ALOX5PKMMAPK10GSK3B
SCHEMBL31305794 0.81 ALDH1A1 (0.37) ALDH1A1MAPK10KDM4EPTPN2PTPRB
SCHEMBL8823260 0.79 ALDH1A1 (0.39) ALDH1A1MAPK10KDM4EPTPN2PTPRB
SCHEMBL28380222 0.77 FABP4 (0.50) ALDH1A1MAPK10KDM4EMEN1KMT2A
SCHEMBL8823288 0.77 ALDH1A1 (0.41) ALDH1A1MAPK10KDM4EKMT2A
SCHEMBL16585740 0.75 ALDH1A1 (0.39) ALDH1A1PKMKDM4EL3MBTL1
SCHEMBL28051084 0.75 ALDH1A1 (0.39) ALDH1A1PKMKDM4EL3MBTL1
SCHEMBL5049650 0.75 PKM (0.45) PKMMAPK10GSK3BKDM4EGAA
SCHEMBL6857304 0.71 PTPN2 (0.48) PKMGSK3BKDM4EGAAPTPN2
SCHEMBL7748143 0.70 MAPK10 (0.65) ALDH1A1MAPK10KDM4EGAAL3MBTL1

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
CN-105636975-A Anti-inflammatory tripeptides DR AUGUST WOLFF GMBH & CO KG ARZNEIMITTEL 2016-06-01 — — CN claimed
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 — — US claimed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 — — US claimed
CN-105636975-B Anti-inflammatory tripeptides 奥古斯特沃尔夫博士有限两合公司-医药 2019-06-25 — — CN disclosed
CN-105636975-A Anti-inflammatory tripeptides DR AUGUST WOLFF GMBH & CO KG ARZNEIMITTEL 2016-06-01 — — CN disclosed
EP-2248901-A1 Streptogramines and method for preparing same by mutasynthesis Aventis Pharma S.A. (FR) 2010-11-10 — — EP disclosed
EP-0770132-B1 NEW STREPTOGRAMINES AVENTIS PHARMA SA (FR) 2010-09-08 — — EP disclosed
US-6833382-B2 By muta-synthesis using a mutated micro-organism to influence the biosynthesis of at least one of the precursors of group B streptogramines; mutant strain employed is preferably derived from the strain S. pristinaespiralis SP92 AVENTIS PHARMA S.A. (FR) 2004-12-21 — — US disclosed
US-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS AVENTIS PHARMA, S.A. 2002-10-03 — — US disclosed
US-6384014-B1 ANTIBIOTICS AS BACTERICIDES AVENTIS PHARMA S.A. (FR) 2002-05-07 — — US disclosed
US-6352839-B1 PREPARING VIRGINIAMYCINS FROM AN ENGINEERED MICROORGANISMS, HAVING THE ABILITY TO PREVENT BIOSYNTHESIS OF THE PRECURSOR ANTIBIOTIC; THE MICROORGANISM IS CULTURED IN THE PRESENCE OF A SECOND PRECURSOR AND THE STREPTOGRAMIN ANALOG IS RECOVERED AVENTIS PHARMA S.A. (FR) 2002-03-05 — — US disclosed
EP-0773956-B1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-07-04 — — EP disclosed
EP-0773956-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-05-21 — — EP disclosed
EP-0770132-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS Aventis Pharma S.A. (FR) 1997-05-02 — — EP disclosed
WO-1996004298-A1 PURIFIED FORM OF STREPTOGRAMINES, PREPARATION OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1996-02-15 — — WO disclosed
WO-1996001901-A1 STREPTOGRAMINES AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS RHONE-POULENC RORER S.A. (FR) 1996-01-25 — — 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-20020142947-A1 STREPTOGRAMINS AND METHOD FOR PREPARING SAME BY MUTASYNTHESIS EMG1, FBL, SMS ALDH1A1 3856/4885ALOX5 3343/4885PKM 3557/4885

“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.

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