SCHEMBL995191

SCHEMBL995191

C[C@H](C(=O)O)N(C(=O)OC(C)(C)C)c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GABRB1 P18505 1/20 0.39
GABRB2 P47870 1/20 0.39
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PAX8 Q06710 1/20 0.36
KDM4E B2RXH2 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
MMP13 P45452 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
SCHEMBL1325515 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL1325516 1.00 MEN1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL6041219 0.93 MEN1 (0.40) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL6139041 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL27597529 0.87 MEN1 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL8507676 0.86 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2GABRB1
SCHEMBL9382586 0.84 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL642839 0.84 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1SMN1; SMN2TDP1
SCHEMBL8709208 0.84 ALOX15 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2PPARG
SCHEMBL8709207 0.84 ALOX15 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058240-B2 Biological active ligands of melanocortin receptors UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2011-11-15 US disclosed
EP-1642888-B1 Compounds for modulating the RAGE receptor TRANSTECH PHARMA INC (US) 2011-11-02 EP disclosed
EP-2288733-A2 A HIGH THROUGHPUT PROTEIN INTERACTION ASSAY Merck Sharp & Dohme Corp. (US) 2011-03-02 EP disclosed
US-20110014226-A1 HIGH THROUGHPUT PROTEIN INTERACTION ASSAY MERCK SHARP & DOHME CORP. 2011-01-20 US disclosed
WO-2009117409-A2 A HIGH THROUGHPUT PROTEIN INTERACTION ASSAY MERCK & CO., INC. (US) 2009-09-24 WO disclosed
US-20090176712-A1 Peptides with Efficacy in Rescuing Melanocortin-4 Receptor Polymorphic Agonist Signaling NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-09 US disclosed
WO-2007123839-A2 PEPTIDES WITH EFFICACY IN RESCUING MELANOCORTIN-4 RECEPTOR POLYMORPHIC AGONIST SIGNALING UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-11-01 WO disclosed
US-20060189578-A1 Method for the synthesis of compounds of formula I and their uses thereof TRANSTECH PHARMA (US) 2006-08-24 US disclosed
US-20060148760-A1 Method for the sysnthesis of compounds of formula I and their uses thereof TRANSTECH PHARMA (US) 2006-07-06 US disclosed
US-7067554-B2 Method for the synthesis of compounds of formula I and their uses thereof TRANSTECH PHARMA, INC. (US) 2006-06-27 US disclosed
EP-0805816-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2004-07-28 EP disclosed
US-20040097407-A1 Method for the synthesis of compounds of formula I and their uses thereof TRANSTECH PHARMA, INC. 2004-05-20 US disclosed
US-6613801-B2 Antiinflammatory agents; antidiabetic agents TRANSTECH PHARMA, INC. 2003-09-02 US disclosed
EP-1284959-A1 COMPOUNDS FOR MODULATING THE RAGE RECEPTOR TransTech Pharma, Inc. (US) 2003-02-26 EP disclosed
US-6350767-B1 GROWTH HORMONE RELEASE STIMULANT NOVO NORDISK A/S (DK) 2002-02-26 US disclosed
US-20020006957-A1 Method for the synthesis of compounds of formula I and their uses thereof TRANSTECH PHARMA, LLC 2002-01-17 US disclosed
WO-2001092210-A1 COMPOUNDS FOR MODULATING THE RAGE RECEPTOR TRANS TECH PHARMA (US) 2001-12-06 WO disclosed
US-6013658-A ANIMAL GROWTH REGULATORS NOVO NORDISK A/S (DK) 2000-01-11 US disclosed
EP-0805816-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-11-12 EP disclosed
WO-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 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 (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-20060148760-A1 Method for the sysnthesis of compounds of formula I and their uses thereof AGER, S100B, S100P MEN1 1489/4885KMT2A 4877/4885ALDH1A1 3074/4885
US-20060189578-A1 Method for the synthesis of compounds of formula I and their uses thereof AGER, S100B, S100P MEN1 1705/4885KMT2A 4875/4885ALDH1A1 2326/4885
US-20020006957-A1 Method for the synthesis of compounds of formula I and their uses thereof AGER, S100B, S100P MEN1 1728/4885KMT2A 4873/4885ALDH1A1 2332/4885
US-20040097407-A1 Method for the synthesis of compounds of formula I and their uses thereof AGER, S100B, S100P MEN1 1728/4885KMT2A 4873/4885ALDH1A1 2332/4885
US-20110014226-A1 HIGH THROUGHPUT PROTEIN INTERACTION ASSAY SSB, AIP, LY96 MEN1 2079/4885KMT2A 1570/4885ALDH1A1 4535/4885

“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.