SCHEMBL3036448

SCHEMBL3036448

CC(C)CC(C(N)=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.59
▸ CTSS P25774 3/20 0.48
▸ CTSK P43235 3/20 0.48
▸ KCNQ2 O43526 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ CTSL P07711 1/20 0.44
▸ BCAT2 O15382 1/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MMP9 P14780 1/20 0.41
▸ MMP8 P22894 1/20 0.41
▸ MMP14 P50281 1/20 0.41

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
SCHEMBL1716112 0.84 CYP2C19 (0.53) CTSSCTSKKCNQ2LMNAALDH1A1
SCHEMBL18098100 0.84 EPHX1 (0.54) EPHX1KCNQ2LMNAALDH1A1ALOX5
SCHEMBL3647916 0.83 ACHE (0.47) EPHX1CTSSCTSKLMNAALDH1A1
SCHEMBL2120942 0.82 CTSS (0.49) EPHX1CTSSCTSKKCNQ2LMNA
SCHEMBL3642653 0.81 FFAR2 (0.50) EPHX1LMNACYP1A2CYP2D6CYP2C19
SCHEMBL22322995 0.81 EPHX1 (0.59) EPHX1LMNABCAT2CYP1A2CYP2D6
SCHEMBL27774147 0.81 LMNA (0.50) EPHX1CTSSCTSKKCNQ2LMNA
SCHEMBL9577303 0.81 CTSS (0.48) EPHX1CTSSCTSKKCNQ2LMNA
Fenbutyramide SCHEMBL1478462 0.80 EPHX1 (0.63) EPHX1KCNQ2LMNAALDH1A1SMN1; SMN2
Fenbutyramide SCHEMBL232920 0.80 EPHX1 (0.63) EPHX1KCNQ2LMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105517993-B Aryl amide kinase inhibitors 百时美施贵宝公司 2018-07-13 — — CN claimed
US-20120190680-A1 Heteroaryl Amide Analogues H. LUNDBECK A/S (DK) 2012-07-26 — — US claimed
CN-1910144-B Sulfonamide derivatives for the treatment of diseases PFIZER LTD 2010-06-09 — — CN claimed
EP-2185560-A1 HETEROARYL AMIDE ANALOGUES H. Lundbeck A/S (DK) 2010-05-19 — — EP claimed
CN-100548976-C The sulfone amide derivative that is used for the treatment of disease PFIZER LTD (US) 2009-10-14 — — CN claimed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 — — US claimed
WO-2009108551-A2 HETEROARYL AMIDE ANALOGUES H. LUNDBECK A/S (DK) 2009-09-03 — — WO claimed
WO-2009023623-A1 HETEROARYL AMIDE ANALOGUES H, LUNDBECK A/S (DK) 2009-02-19 — — WO claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP claimed
CN-1934071-A Carboxamide derivatives useful as adrenergic receptors PFIZER LTD (US) 2007-03-21 — — CN claimed
CN-1910144-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 — — CN claimed
CN-1910143-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 — — CN claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — WO claimed
CN-105517993-B Aryl amide kinase inhibitors 百时美施贵宝公司 2018-07-13 — — CN disclosed
CN-107108552-A Heterocyclic kinase inhibitors 百时美施贵宝公司 2017-08-29 — — CN disclosed
EP-2096923-B1 HETEROARYL AMIDE DERIVATIVES LUNDBECK & CO AS H (DK) 2014-01-22 — — EP disclosed
CN-1910144-A Sulfonamide derivatives for the treatment of diseases PFIZER LTD (US) 2007-02-07 — — CN disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 — — EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 — — US disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 — — 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 (3 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 EPHX1 387/4885CTSS 350/4885CTSK 1023/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA EPHX1 1333/4885CTSS 1939/4885CTSK 2250/4885
US-20120190680-A1 Heteroaryl Amide Analogues P2RX3, P2RX2, ADORA2A EPHX1 827/4885CTSS 1480/4885CTSK 1572/4885

“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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