SCHEMBL3529575

SCHEMBL3529575

CCC(=O)Oc1c(C)cccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KMT2A Q03164 3/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.41
NLRP3 Q96P20 1/20 0.41
ACHE P22303 3/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ELANE P08246 1/20 0.39
PTPN1 P18031 1/20 0.39
ESR1 P03372 1/20 0.39
RECQL P46063 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL2898218 0.89 KMT2A (0.48) SMN1; SMN2KMT2ANLRP3ACHEALDH1A1
SCHEMBL1751993 0.87 SMN1; SMN2 (0.62) SMN1; SMN2L3MBTL1KDM4EKMT2AATM
SCHEMBL15547750 0.83 KMT2A (0.43) SMN1; SMN2L3MBTL1KDM4EKMT2AMEN1
SCHEMBL28068587 0.83 KMT2A (0.43) SMN1; SMN2KMT2ANLRP3ACHEALDH1A1
SCHEMBL9716067 0.82 SMN1; SMN2 (0.46) SMN1; SMN2L3MBTL1KDM4EKMT2AATM
SCHEMBL7389800 0.81 ACHE (0.43) SMN1; SMN2L3MBTL1KDM4EKMT2ANLRP3
SCHEMBL7508588 0.81 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1KDM4EKMT2AATM
SCHEMBL28068645 0.81 KMT2A (0.42) SMN1; SMN2KMT2ANLRP3ACHEALDH1A1
Acetic Acid SCHEMBL28940897 0.81 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1KDM4EKMT2AATM
SCHEMBL15549298 0.81 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1KDM4EKMT2AATM

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
EP-1575901-B1 SUBSTITUTED AMIDES MERCK SHARP & DOHME (US) 2012-10-10 EP disclosed
US-7816534-B2 Substituted amides MERCK SHARP & DOHME CORP. (US) 2010-10-19 US disclosed
US-20090258884-A1 Substituted amides MERCK SHARP & DOHME CORP. 2009-10-15 US disclosed
US-7576239-B2 Substituted amides MERCK & CO., INC. (US) 2009-08-18 US disclosed
EP-1575901-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2009-03-18 EP disclosed
US-20080194645-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-08-14 US disclosed
US-20080171692-A1 Substituted amides MERCK SHARP & DOHME CORP. 2008-07-17 US disclosed
EP-1496838-A4 SUBSTITUTED AMIDES MERCK & CO INC (US) 2008-07-02 EP disclosed
US-7348456-B2 Substituted amides MERCK & CO., INC. (US) 2008-03-25 US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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 (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-20080171692-A1 Substituted amides CNR1, CNR2, FAAH SMN1; SMN2 608/4885L3MBTL1 3168/4885KDM4E 3097/4885
US-20060106071-A1 Substituted amides CNR1, CNR2, FAAH SMN1; SMN2 608/4885L3MBTL1 3168/4885KDM4E 3097/4885
US-20080194645-A1 Substituted amides CNR1, CNR2, FAAH SMN1; SMN2 608/4885L3MBTL1 3168/4885KDM4E 3097/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG SMN1; SMN2 469/4885L3MBTL1 3941/4885KDM4E 3788/4885
US-20090258884-A1 Substituted amides CNR1, CNR2, FAAH SMN1; SMN2 608/4885L3MBTL1 3168/4885KDM4E 3097/4885

“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.